----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:23:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.885907945000000 -6.204961145000000 0.000000000000000 b 1.885907945000000 6.204961145000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383369770000000 Atomic positions (fractional): *1 Cl 0.84675242558385 0.15324757441615 0.06662808480224 35.453 2 Cl 0.15324757441615 0.84675242558385 0.93337191519776 35.453 *3 Cl 0.40788290901759 0.59211709098240 0.75000000000000 35.453 4 Cl 0.59211709098240 0.40788290901759 0.25000000000000 35.453 5 Cl 0.84675242558385 0.15324757441615 0.43337191519776 35.453 6 Cl 0.15324757441615 0.84675242558385 0.56662808480224 35.453 *7 Tb 0.24122083375457 0.75877916624543 0.25000000000000 158.925 8 Tb 0.75877916624543 0.24122083375457 0.75000000000000 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.771815890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.409922290000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383369770000000 Atomic positions (fractional): *1 Cl 0.00000000000000 0.15324757441615 0.06662808480224 35.453 > 1 2 Cl 0.50000000000000 0.34675242558385 0.93337191519776 35.453 > 2 *3 Cl 0.50000000000000 0.09211709098241 0.75000000000000 35.453 > 3 4 Cl 0.00000000000000 0.40788290901759 0.25000000000000 35.453 > 4 5 Cl 0.00000000000000 0.15324757441615 0.43337191519776 35.453 > 5 6 Cl 0.50000000000000 0.34675242558385 0.56662808480224 35.453 > 6 7 Cl 0.50000000000000 0.65324757441615 0.06662808480224 35.453 > 1 8 Cl 0.00000000000000 0.84675242558385 0.93337191519776 35.453 > 2 9 Cl 0.00000000000000 0.59211709098240 0.75000000000000 35.453 > 3 10 Cl 0.50000000000000 0.90788290901760 0.25000000000000 35.453 > 4 11 Cl 0.50000000000000 0.65324757441615 0.43337191519776 35.453 > 5 12 Cl 0.00000000000000 0.84675242558385 0.56662808480224 35.453 > 6 *13 Tb 0.50000000000000 0.25877916624543 0.25000000000000 158.925 > 7 14 Tb 0.00000000000000 0.24122083375457 0.75000000000000 158.925 > 8 15 Tb 0.00000000000000 0.75877916624543 0.25000000000000 158.925 > 7 16 Tb 0.50000000000000 0.74122083375457 0.75000000000000 158.925 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.087263560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.409922290000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.766739540000000 Atomic positions (fractional): *1 Cl 0.00000000000000 0.15324757441615 0.03331404240112 35.453 > 1 2 Cl 0.25000000000000 0.15324757441615 0.03331404240112 35.453 > 1 3 Cl 0.50000000000000 0.15324757441615 0.03331404240112 35.453 > 1 4 Cl 0.75000000000000 0.15324757441615 0.03331404240112 35.453 > 1 5 Cl 0.00000000000000 0.15324757441615 0.53331404240112 35.453 > 1 6 Cl 0.25000000000000 0.15324757441615 0.53331404240112 35.453 > 1 7 Cl 0.50000000000000 0.15324757441615 0.53331404240112 35.453 > 1 8 Cl 0.75000000000000 0.15324757441615 0.53331404240112 35.453 > 1 9 Cl 0.12500000000000 0.34675242558385 0.46668595759888 35.453 > 2 10 Cl 0.37500000000000 0.34675242558385 0.46668595759888 35.453 > 2 11 Cl 0.62500000000000 0.34675242558385 0.46668595759888 35.453 > 2 12 Cl 0.87500000000000 0.34675242558385 0.46668595759888 35.453 > 2 13 Cl 0.12500000000000 0.34675242558385 0.96668595759888 35.453 > 2 14 Cl 0.37500000000000 0.34675242558385 0.96668595759888 35.453 > 2 15 Cl 0.62500000000000 0.34675242558385 0.96668595759888 35.453 > 2 16 Cl 0.87500000000000 0.34675242558385 0.96668595759888 35.453 > 2 *17 Cl 0.12500000000000 0.09211709098241 0.37500000000000 35.453 > 3 18 Cl 0.37500000000000 0.09211709098241 0.37500000000000 35.453 > 3 19 Cl 0.62500000000000 0.09211709098241 0.37500000000000 35.453 > 3 20 Cl 0.87500000000000 0.09211709098241 0.37500000000000 35.453 > 3 21 Cl 0.12500000000000 0.09211709098241 0.87500000000000 35.453 > 3 22 Cl 0.37500000000000 0.09211709098241 0.87500000000000 35.453 > 3 23 Cl 0.62500000000000 0.09211709098241 0.87500000000000 35.453 > 3 24 Cl 0.87500000000000 0.09211709098241 0.87500000000000 35.453 > 3 25 Cl 0.00000000000000 0.40788290901759 0.12500000000000 35.453 > 4 26 Cl 0.25000000000000 0.40788290901759 0.12500000000000 35.453 > 4 27 Cl 0.50000000000000 0.40788290901759 0.12500000000000 35.453 > 4 28 Cl 0.75000000000000 0.40788290901759 0.12500000000000 35.453 > 4 29 Cl 0.00000000000000 0.40788290901759 0.62500000000000 35.453 > 4 30 Cl 0.25000000000000 0.40788290901759 0.62500000000000 35.453 > 4 31 Cl 0.50000000000000 0.40788290901759 0.62500000000000 35.453 > 4 32 Cl 0.75000000000000 0.40788290901759 0.62500000000000 35.453 > 4 33 Cl 0.00000000000000 0.15324757441615 0.21668595759888 35.453 > 5 34 Cl 0.25000000000000 0.15324757441615 0.21668595759888 35.453 > 5 35 Cl 0.50000000000000 0.15324757441615 0.21668595759888 35.453 > 5 36 Cl 0.75000000000000 0.15324757441615 0.21668595759888 35.453 > 5 37 Cl 0.00000000000000 0.15324757441615 0.71668595759888 35.453 > 5 38 Cl 0.25000000000000 0.15324757441615 0.71668595759888 35.453 > 5 39 Cl 0.50000000000000 0.15324757441615 0.71668595759888 35.453 > 5 40 Cl 0.75000000000000 0.15324757441615 0.71668595759888 35.453 > 5 41 Cl 0.12500000000000 0.34675242558385 0.28331404240112 35.453 > 6 42 Cl 0.37500000000000 0.34675242558385 0.28331404240112 35.453 > 6 43 Cl 0.62500000000000 0.34675242558385 0.28331404240112 35.453 > 6 44 Cl 0.87500000000000 0.34675242558385 0.28331404240112 35.453 > 6 45 Cl 0.12500000000000 0.34675242558385 0.78331404240112 35.453 > 6 46 Cl 0.37500000000000 0.34675242558385 0.78331404240112 35.453 > 6 47 Cl 0.62500000000000 0.34675242558385 0.78331404240112 35.453 > 6 48 Cl 0.87500000000000 0.34675242558385 0.78331404240112 35.453 > 6 49 Cl 0.12500000000000 0.65324757441615 0.03331404240112 35.453 > 1 50 Cl 0.37500000000000 0.65324757441615 0.03331404240112 35.453 > 1 51 Cl 0.62500000000000 0.65324757441615 0.03331404240112 35.453 > 1 52 Cl 0.87500000000000 0.65324757441615 0.03331404240112 35.453 > 1 53 Cl 0.12500000000000 0.65324757441615 0.53331404240112 35.453 > 1 54 Cl 0.37500000000000 0.65324757441615 0.53331404240112 35.453 > 1 55 Cl 0.62500000000000 0.65324757441615 0.53331404240112 35.453 > 1 56 Cl 0.87500000000000 0.65324757441615 0.53331404240112 35.453 > 1 57 Cl 0.00000000000000 0.84675242558385 0.46668595759888 35.453 > 2 58 Cl 0.25000000000000 0.84675242558385 0.46668595759888 35.453 > 2 59 Cl 0.50000000000000 0.84675242558385 0.46668595759888 35.453 > 2 60 Cl 0.75000000000000 0.84675242558385 0.46668595759888 35.453 > 2 61 Cl 0.00000000000000 0.84675242558385 0.96668595759888 35.453 > 2 62 Cl 0.25000000000000 0.84675242558385 0.96668595759888 35.453 > 2 63 Cl 0.50000000000000 0.84675242558385 0.96668595759888 35.453 > 2 64 Cl 0.75000000000000 0.84675242558385 0.96668595759888 35.453 > 2 65 Cl 0.00000000000000 0.59211709098240 0.37500000000000 35.453 > 3 66 Cl 0.25000000000000 0.59211709098240 0.37500000000000 35.453 > 3 67 Cl 0.50000000000000 0.59211709098240 0.37500000000000 35.453 > 3 68 Cl 0.75000000000000 0.59211709098240 0.37500000000000 35.453 > 3 69 Cl 0.00000000000000 0.59211709098240 0.87500000000000 35.453 > 3 70 Cl 0.25000000000000 0.59211709098240 0.87500000000000 35.453 > 3 71 Cl 0.50000000000000 0.59211709098240 0.87500000000000 35.453 > 3 72 Cl 0.75000000000000 0.59211709098240 0.87500000000000 35.453 > 3 73 Cl 0.12500000000000 0.90788290901760 0.12500000000000 35.453 > 4 74 Cl 0.37500000000000 0.90788290901760 0.12500000000000 35.453 > 4 75 Cl 0.62500000000000 0.90788290901760 0.12500000000000 35.453 > 4 76 Cl 0.87500000000000 0.90788290901760 0.12500000000000 35.453 > 4 77 Cl 0.12500000000000 0.90788290901760 0.62500000000000 35.453 > 4 78 Cl 0.37500000000000 0.90788290901760 0.62500000000000 35.453 > 4 79 Cl 0.62500000000000 0.90788290901760 0.62500000000000 35.453 > 4 80 Cl 0.87500000000000 0.90788290901760 0.62500000000000 35.453 > 4 81 Cl 0.12500000000000 0.65324757441615 0.21668595759888 35.453 > 5 82 Cl 0.37500000000000 0.65324757441615 0.21668595759888 35.453 > 5 83 Cl 0.62500000000000 0.65324757441615 0.21668595759888 35.453 > 5 84 Cl 0.87500000000000 0.65324757441615 0.21668595759888 35.453 > 5 85 Cl 0.12500000000000 0.65324757441615 0.71668595759888 35.453 > 5 86 Cl 0.37500000000000 0.65324757441615 0.71668595759888 35.453 > 5 87 Cl 0.62500000000000 0.65324757441615 0.71668595759888 35.453 > 5 88 Cl 0.87500000000000 0.65324757441615 0.71668595759888 35.453 > 5 89 Cl 0.00000000000000 0.84675242558385 0.28331404240112 35.453 > 6 90 Cl 0.25000000000000 0.84675242558385 0.28331404240112 35.453 > 6 91 Cl 0.50000000000000 0.84675242558385 0.28331404240112 35.453 > 6 92 Cl 0.75000000000000 0.84675242558385 0.28331404240112 35.453 > 6 93 Cl 0.00000000000000 0.84675242558385 0.78331404240112 35.453 > 6 94 Cl 0.25000000000000 0.84675242558385 0.78331404240112 35.453 > 6 95 Cl 0.50000000000000 0.84675242558385 0.78331404240112 35.453 > 6 96 Cl 0.75000000000000 0.84675242558385 0.78331404240112 35.453 > 6 *97 Tb 0.12500000000000 0.25877916624543 0.12500000000000 158.925 > 7 98 Tb 0.37500000000000 0.25877916624543 0.12500000000000 158.925 > 7 99 Tb 0.62500000000000 0.25877916624543 0.12500000000000 158.925 > 7 100 Tb 0.87500000000000 0.25877916624543 0.12500000000000 158.925 > 7 101 Tb 0.12500000000000 0.25877916624543 0.62500000000000 158.925 > 7 102 Tb 0.37500000000000 0.25877916624543 0.62500000000000 158.925 > 7 103 Tb 0.62500000000000 0.25877916624543 0.62500000000000 158.925 > 7 104 Tb 0.87500000000000 0.25877916624543 0.62500000000000 158.925 > 7 105 Tb 0.00000000000000 0.24122083375457 0.37500000000000 158.925 > 8 106 Tb 0.25000000000000 0.24122083375457 0.37500000000000 158.925 > 8 107 Tb 0.50000000000000 0.24122083375457 0.37500000000000 158.925 > 8 108 Tb 0.75000000000000 0.24122083375457 0.37500000000000 158.925 > 8 109 Tb 0.00000000000000 0.24122083375457 0.87500000000000 158.925 > 8 110 Tb 0.25000000000000 0.24122083375457 0.87500000000000 158.925 > 8 111 Tb 0.50000000000000 0.24122083375457 0.87500000000000 158.925 > 8 112 Tb 0.75000000000000 0.24122083375457 0.87500000000000 158.925 > 8 113 Tb 0.00000000000000 0.75877916624543 0.12500000000000 158.925 > 7 114 Tb 0.25000000000000 0.75877916624543 0.12500000000000 158.925 > 7 115 Tb 0.50000000000000 0.75877916624543 0.12500000000000 158.925 > 7 116 Tb 0.75000000000000 0.75877916624543 0.12500000000000 158.925 > 7 117 Tb 0.00000000000000 0.75877916624543 0.62500000000000 158.925 > 7 118 Tb 0.25000000000000 0.75877916624543 0.62500000000000 158.925 > 7 119 Tb 0.50000000000000 0.75877916624543 0.62500000000000 158.925 > 7 120 Tb 0.75000000000000 0.75877916624543 0.62500000000000 158.925 > 7 121 Tb 0.12500000000000 0.74122083375457 0.37500000000000 158.925 > 8 122 Tb 0.37500000000000 0.74122083375457 0.37500000000000 158.925 > 8 123 Tb 0.62500000000000 0.74122083375457 0.37500000000000 158.925 > 8 124 Tb 0.87500000000000 0.74122083375457 0.37500000000000 158.925 > 8 125 Tb 0.12500000000000 0.74122083375457 0.87500000000000 158.925 > 8 126 Tb 0.37500000000000 0.74122083375457 0.87500000000000 158.925 > 8 127 Tb 0.62500000000000 0.74122083375457 0.87500000000000 158.925 > 8 128 Tb 0.87500000000000 0.74122083375457 0.87500000000000 158.925 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0520333 0.0000000 0.0000000 0.0000000 3.0642434 0.0000000 0.0000000 0.0000000 3.9776664 -------------------------- Born effective charges -------------------------- 1 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 -0.1314412 0.0000000 -0.0847347 -1.5935163 2 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 -0.1314412 0.0000000 -0.0847347 -1.5935163 3 Cl -1.8014182 0.0000000 0.0000000 0.0000000 -1.0540693 0.0000000 0.0000000 0.0000000 -0.5858529 4 Cl -1.8014182 0.0000000 0.0000000 0.0000000 -1.0540693 0.0000000 0.0000000 0.0000000 -0.5858529 5 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 0.1314412 0.0000000 0.0847347 -1.5935163 6 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 0.1314412 0.0000000 0.0847347 -1.5935163 7 Tb 4.4910402 0.0000000 0.0000000 0.0000000 2.2236543 0.0000000 0.0000000 0.0000000 3.7728856 8 Tb 4.4910402 0.0000000 0.0000000 0.0000000 2.2236543 0.0000000 0.0000000 0.0000000 3.7728856 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 160 - Time: 0.670 Solver_block: 160 / 160 - Time: 0.448 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 6288/6288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 692 Number of blocks in projector: 692 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 120 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 84 Use standard eigh solver. Tree of FC basis block matrices: - (692, 681), data: False |-- (84, 84), data: True |-- (108, 108), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (120, 117), data: True |-- (140, 138), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:23:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:23:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.885907945000000 -6.204961145000000 0.000000000000000 b 1.885907945000000 6.204961145000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383369770000000 Atomic positions (fractional): 1 Cl 0.84675242558385 0.15324757441615 0.06662808480224 35.453 2 Cl 0.15324757441615 0.84675242558385 0.93337191519776 35.453 3 Cl 0.40788290901759 0.59211709098240 0.75000000000000 35.453 4 Cl 0.59211709098240 0.40788290901759 0.25000000000000 35.453 5 Cl 0.84675242558385 0.15324757441615 0.43337191519776 35.453 6 Cl 0.15324757441615 0.84675242558385 0.56662808480224 35.453 7 Tb 0.24122083375457 0.75877916624543 0.25000000000000 158.925 8 Tb 0.75877916624543 0.24122083375457 0.75000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.087263560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.409922290000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.766739540000000 Atomic positions (fractional): 1 Cl 0.00000000000000 0.15324757441615 0.03331404240112 35.453 > 1 2 Cl 0.25000000000000 0.15324757441615 0.03331404240112 35.453 > 1 3 Cl 0.50000000000000 0.15324757441615 0.03331404240112 35.453 > 1 4 Cl 0.75000000000000 0.15324757441615 0.03331404240112 35.453 > 1 5 Cl 0.00000000000000 0.15324757441615 0.53331404240112 35.453 > 1 6 Cl 0.25000000000000 0.15324757441615 0.53331404240112 35.453 > 1 7 Cl 0.50000000000000 0.15324757441615 0.53331404240112 35.453 > 1 8 Cl 0.75000000000000 0.15324757441615 0.53331404240112 35.453 > 1 9 Cl 0.12500000000000 0.34675242558385 0.46668595759888 35.453 > 9 10 Cl 0.37500000000000 0.34675242558385 0.46668595759888 35.453 > 9 11 Cl 0.62500000000000 0.34675242558385 0.46668595759888 35.453 > 9 12 Cl 0.87500000000000 0.34675242558385 0.46668595759888 35.453 > 9 13 Cl 0.12500000000000 0.34675242558385 0.96668595759888 35.453 > 9 14 Cl 0.37500000000000 0.34675242558385 0.96668595759888 35.453 > 9 15 Cl 0.62500000000000 0.34675242558385 0.96668595759888 35.453 > 9 16 Cl 0.87500000000000 0.34675242558385 0.96668595759888 35.453 > 9 17 Cl 0.12500000000000 0.09211709098241 0.37500000000000 35.453 > 17 18 Cl 0.37500000000000 0.09211709098241 0.37500000000000 35.453 > 17 19 Cl 0.62500000000000 0.09211709098241 0.37500000000000 35.453 > 17 20 Cl 0.87500000000000 0.09211709098241 0.37500000000000 35.453 > 17 21 Cl 0.12500000000000 0.09211709098241 0.87500000000000 35.453 > 17 22 Cl 0.37500000000000 0.09211709098241 0.87500000000000 35.453 > 17 23 Cl 0.62500000000000 0.09211709098241 0.87500000000000 35.453 > 17 24 Cl 0.87500000000000 0.09211709098241 0.87500000000000 35.453 > 17 25 Cl 0.00000000000000 0.40788290901759 0.12500000000000 35.453 > 25 26 Cl 0.25000000000000 0.40788290901759 0.12500000000000 35.453 > 25 27 Cl 0.50000000000000 0.40788290901759 0.12500000000000 35.453 > 25 28 Cl 0.75000000000000 0.40788290901759 0.12500000000000 35.453 > 25 29 Cl 0.00000000000000 0.40788290901759 0.62500000000000 35.453 > 25 30 Cl 0.25000000000000 0.40788290901759 0.62500000000000 35.453 > 25 31 Cl 0.50000000000000 0.40788290901759 0.62500000000000 35.453 > 25 32 Cl 0.75000000000000 0.40788290901759 0.62500000000000 35.453 > 25 33 Cl 0.00000000000000 0.15324757441615 0.21668595759888 35.453 > 33 34 Cl 0.25000000000000 0.15324757441615 0.21668595759888 35.453 > 33 35 Cl 0.50000000000000 0.15324757441615 0.21668595759888 35.453 > 33 36 Cl 0.75000000000000 0.15324757441615 0.21668595759888 35.453 > 33 37 Cl 0.00000000000000 0.15324757441615 0.71668595759888 35.453 > 33 38 Cl 0.25000000000000 0.15324757441615 0.71668595759888 35.453 > 33 39 Cl 0.50000000000000 0.15324757441615 0.71668595759888 35.453 > 33 40 Cl 0.75000000000000 0.15324757441615 0.71668595759888 35.453 > 33 41 Cl 0.12500000000000 0.34675242558385 0.28331404240112 35.453 > 41 42 Cl 0.37500000000000 0.34675242558385 0.28331404240112 35.453 > 41 43 Cl 0.62500000000000 0.34675242558385 0.28331404240112 35.453 > 41 44 Cl 0.87500000000000 0.34675242558385 0.28331404240112 35.453 > 41 45 Cl 0.12500000000000 0.34675242558385 0.78331404240112 35.453 > 41 46 Cl 0.37500000000000 0.34675242558385 0.78331404240112 35.453 > 41 47 Cl 0.62500000000000 0.34675242558385 0.78331404240112 35.453 > 41 48 Cl 0.87500000000000 0.34675242558385 0.78331404240112 35.453 > 41 49 Cl 0.12500000000000 0.65324757441615 0.03331404240112 35.453 > 1 50 Cl 0.37500000000000 0.65324757441615 0.03331404240112 35.453 > 1 51 Cl 0.62500000000000 0.65324757441615 0.03331404240112 35.453 > 1 52 Cl 0.87500000000000 0.65324757441615 0.03331404240112 35.453 > 1 53 Cl 0.12500000000000 0.65324757441615 0.53331404240112 35.453 > 1 54 Cl 0.37500000000000 0.65324757441615 0.53331404240112 35.453 > 1 55 Cl 0.62500000000000 0.65324757441615 0.53331404240112 35.453 > 1 56 Cl 0.87500000000000 0.65324757441615 0.53331404240112 35.453 > 1 57 Cl 0.00000000000000 0.84675242558385 0.46668595759888 35.453 > 9 58 Cl 0.25000000000000 0.84675242558385 0.46668595759888 35.453 > 9 59 Cl 0.50000000000000 0.84675242558385 0.46668595759888 35.453 > 9 60 Cl 0.75000000000000 0.84675242558385 0.46668595759888 35.453 > 9 61 Cl 0.00000000000000 0.84675242558385 0.96668595759888 35.453 > 9 62 Cl 0.25000000000000 0.84675242558385 0.96668595759888 35.453 > 9 63 Cl 0.50000000000000 0.84675242558385 0.96668595759888 35.453 > 9 64 Cl 0.75000000000000 0.84675242558385 0.96668595759888 35.453 > 9 65 Cl 0.00000000000000 0.59211709098240 0.37500000000000 35.453 > 17 66 Cl 0.25000000000000 0.59211709098240 0.37500000000000 35.453 > 17 67 Cl 0.50000000000000 0.59211709098240 0.37500000000000 35.453 > 17 68 Cl 0.75000000000000 0.59211709098240 0.37500000000000 35.453 > 17 69 Cl 0.00000000000000 0.59211709098240 0.87500000000000 35.453 > 17 70 Cl 0.25000000000000 0.59211709098240 0.87500000000000 35.453 > 17 71 Cl 0.50000000000000 0.59211709098240 0.87500000000000 35.453 > 17 72 Cl 0.75000000000000 0.59211709098240 0.87500000000000 35.453 > 17 73 Cl 0.12500000000000 0.90788290901760 0.12500000000000 35.453 > 25 74 Cl 0.37500000000000 0.90788290901760 0.12500000000000 35.453 > 25 75 Cl 0.62500000000000 0.90788290901760 0.12500000000000 35.453 > 25 76 Cl 0.87500000000000 0.90788290901760 0.12500000000000 35.453 > 25 77 Cl 0.12500000000000 0.90788290901760 0.62500000000000 35.453 > 25 78 Cl 0.37500000000000 0.90788290901760 0.62500000000000 35.453 > 25 79 Cl 0.62500000000000 0.90788290901760 0.62500000000000 35.453 > 25 80 Cl 0.87500000000000 0.90788290901760 0.62500000000000 35.453 > 25 81 Cl 0.12500000000000 0.65324757441615 0.21668595759888 35.453 > 33 82 Cl 0.37500000000000 0.65324757441615 0.21668595759888 35.453 > 33 83 Cl 0.62500000000000 0.65324757441615 0.21668595759888 35.453 > 33 84 Cl 0.87500000000000 0.65324757441615 0.21668595759888 35.453 > 33 85 Cl 0.12500000000000 0.65324757441615 0.71668595759888 35.453 > 33 86 Cl 0.37500000000000 0.65324757441615 0.71668595759888 35.453 > 33 87 Cl 0.62500000000000 0.65324757441615 0.71668595759888 35.453 > 33 88 Cl 0.87500000000000 0.65324757441615 0.71668595759888 35.453 > 33 89 Cl 0.00000000000000 0.84675242558385 0.28331404240112 35.453 > 41 90 Cl 0.25000000000000 0.84675242558385 0.28331404240112 35.453 > 41 91 Cl 0.50000000000000 0.84675242558385 0.28331404240112 35.453 > 41 92 Cl 0.75000000000000 0.84675242558385 0.28331404240112 35.453 > 41 93 Cl 0.00000000000000 0.84675242558385 0.78331404240112 35.453 > 41 94 Cl 0.25000000000000 0.84675242558385 0.78331404240112 35.453 > 41 95 Cl 0.50000000000000 0.84675242558385 0.78331404240112 35.453 > 41 96 Cl 0.75000000000000 0.84675242558385 0.78331404240112 35.453 > 41 97 Tb 0.12500000000000 0.25877916624543 0.12500000000000 158.925 > 97 98 Tb 0.37500000000000 0.25877916624543 0.12500000000000 158.925 > 97 99 Tb 0.62500000000000 0.25877916624543 0.12500000000000 158.925 > 97 100 Tb 0.87500000000000 0.25877916624543 0.12500000000000 158.925 > 97 101 Tb 0.12500000000000 0.25877916624543 0.62500000000000 158.925 > 97 102 Tb 0.37500000000000 0.25877916624543 0.62500000000000 158.925 > 97 103 Tb 0.62500000000000 0.25877916624543 0.62500000000000 158.925 > 97 104 Tb 0.87500000000000 0.25877916624543 0.62500000000000 158.925 > 97 105 Tb 0.00000000000000 0.24122083375457 0.37500000000000 158.925 > 105 106 Tb 0.25000000000000 0.24122083375457 0.37500000000000 158.925 > 105 107 Tb 0.50000000000000 0.24122083375457 0.37500000000000 158.925 > 105 108 Tb 0.75000000000000 0.24122083375457 0.37500000000000 158.925 > 105 109 Tb 0.00000000000000 0.24122083375457 0.87500000000000 158.925 > 105 110 Tb 0.25000000000000 0.24122083375457 0.87500000000000 158.925 > 105 111 Tb 0.50000000000000 0.24122083375457 0.87500000000000 158.925 > 105 112 Tb 0.75000000000000 0.24122083375457 0.87500000000000 158.925 > 105 113 Tb 0.00000000000000 0.75877916624543 0.12500000000000 158.925 > 97 114 Tb 0.25000000000000 0.75877916624543 0.12500000000000 158.925 > 97 115 Tb 0.50000000000000 0.75877916624543 0.12500000000000 158.925 > 97 116 Tb 0.75000000000000 0.75877916624543 0.12500000000000 158.925 > 97 117 Tb 0.00000000000000 0.75877916624543 0.62500000000000 158.925 > 97 118 Tb 0.25000000000000 0.75877916624543 0.62500000000000 158.925 > 97 119 Tb 0.50000000000000 0.75877916624543 0.62500000000000 158.925 > 97 120 Tb 0.75000000000000 0.75877916624543 0.62500000000000 158.925 > 97 121 Tb 0.12500000000000 0.74122083375457 0.37500000000000 158.925 > 105 122 Tb 0.37500000000000 0.74122083375457 0.37500000000000 158.925 > 105 123 Tb 0.62500000000000 0.74122083375457 0.37500000000000 158.925 > 105 124 Tb 0.87500000000000 0.74122083375457 0.37500000000000 158.925 > 105 125 Tb 0.12500000000000 0.74122083375457 0.87500000000000 158.925 > 105 126 Tb 0.37500000000000 0.74122083375457 0.87500000000000 158.925 > 105 127 Tb 0.62500000000000 0.74122083375457 0.87500000000000 158.925 > 105 128 Tb 0.87500000000000 0.74122083375457 0.87500000000000 158.925 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0520333 0.0000000 0.0000000 0.0000000 3.0642434 0.0000000 0.0000000 0.0000000 3.9776664 -------------------------- Born effective charges -------------------------- 1 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 -0.1314412 0.0000000 -0.0847347 -1.5935163 2 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 -0.1314412 0.0000000 -0.0847347 -1.5935163 3 Cl -1.8014182 0.0000000 0.0000000 0.0000000 -1.0540693 0.0000000 0.0000000 0.0000000 -0.5858529 4 Cl -1.8014182 0.0000000 0.0000000 0.0000000 -1.0540693 0.0000000 0.0000000 0.0000000 -0.5858529 5 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 0.1314412 0.0000000 0.0847347 -1.5935163 6 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 0.1314412 0.0000000 0.0847347 -1.5935163 7 Tb 4.4910402 0.0000000 0.0000000 0.0000000 2.2236543 0.0000000 0.0000000 0.0000000 3.7728856 8 Tb 4.4910402 0.0000000 0.0000000 0.0000000 2.2236543 0.0000000 0.0000000 0.0000000 3.7728856 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 05:23:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:23:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.885907945000000 -6.204961145000000 0.000000000000000 b 1.885907945000000 6.204961145000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.383369770000000 Atomic positions (fractional): 1 Cl 0.84675242558385 0.15324757441615 0.06662808480224 35.453 2 Cl 0.15324757441615 0.84675242558385 0.93337191519776 35.453 3 Cl 0.40788290901759 0.59211709098240 0.75000000000000 35.453 4 Cl 0.59211709098240 0.40788290901759 0.25000000000000 35.453 5 Cl 0.84675242558385 0.15324757441615 0.43337191519776 35.453 6 Cl 0.15324757441615 0.84675242558385 0.56662808480224 35.453 7 Tb 0.24122083375457 0.75877916624543 0.25000000000000 158.925 8 Tb 0.75877916624543 0.24122083375457 0.75000000000000 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.087263560000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.409922290000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.766739540000000 Atomic positions (fractional): 1 Cl 0.00000000000000 0.15324757441615 0.03331404240112 35.453 > 1 2 Cl 0.25000000000000 0.15324757441615 0.03331404240112 35.453 > 1 3 Cl 0.50000000000000 0.15324757441615 0.03331404240112 35.453 > 1 4 Cl 0.75000000000000 0.15324757441615 0.03331404240112 35.453 > 1 5 Cl 0.00000000000000 0.15324757441615 0.53331404240112 35.453 > 1 6 Cl 0.25000000000000 0.15324757441615 0.53331404240112 35.453 > 1 7 Cl 0.50000000000000 0.15324757441615 0.53331404240112 35.453 > 1 8 Cl 0.75000000000000 0.15324757441615 0.53331404240112 35.453 > 1 9 Cl 0.12500000000000 0.34675242558385 0.46668595759888 35.453 > 9 10 Cl 0.37500000000000 0.34675242558385 0.46668595759888 35.453 > 9 11 Cl 0.62500000000000 0.34675242558385 0.46668595759888 35.453 > 9 12 Cl 0.87500000000000 0.34675242558385 0.46668595759888 35.453 > 9 13 Cl 0.12500000000000 0.34675242558385 0.96668595759888 35.453 > 9 14 Cl 0.37500000000000 0.34675242558385 0.96668595759888 35.453 > 9 15 Cl 0.62500000000000 0.34675242558385 0.96668595759888 35.453 > 9 16 Cl 0.87500000000000 0.34675242558385 0.96668595759888 35.453 > 9 17 Cl 0.12500000000000 0.09211709098241 0.37500000000000 35.453 > 17 18 Cl 0.37500000000000 0.09211709098241 0.37500000000000 35.453 > 17 19 Cl 0.62500000000000 0.09211709098241 0.37500000000000 35.453 > 17 20 Cl 0.87500000000000 0.09211709098241 0.37500000000000 35.453 > 17 21 Cl 0.12500000000000 0.09211709098241 0.87500000000000 35.453 > 17 22 Cl 0.37500000000000 0.09211709098241 0.87500000000000 35.453 > 17 23 Cl 0.62500000000000 0.09211709098241 0.87500000000000 35.453 > 17 24 Cl 0.87500000000000 0.09211709098241 0.87500000000000 35.453 > 17 25 Cl 0.00000000000000 0.40788290901759 0.12500000000000 35.453 > 25 26 Cl 0.25000000000000 0.40788290901759 0.12500000000000 35.453 > 25 27 Cl 0.50000000000000 0.40788290901759 0.12500000000000 35.453 > 25 28 Cl 0.75000000000000 0.40788290901759 0.12500000000000 35.453 > 25 29 Cl 0.00000000000000 0.40788290901759 0.62500000000000 35.453 > 25 30 Cl 0.25000000000000 0.40788290901759 0.62500000000000 35.453 > 25 31 Cl 0.50000000000000 0.40788290901759 0.62500000000000 35.453 > 25 32 Cl 0.75000000000000 0.40788290901759 0.62500000000000 35.453 > 25 33 Cl 0.00000000000000 0.15324757441615 0.21668595759888 35.453 > 33 34 Cl 0.25000000000000 0.15324757441615 0.21668595759888 35.453 > 33 35 Cl 0.50000000000000 0.15324757441615 0.21668595759888 35.453 > 33 36 Cl 0.75000000000000 0.15324757441615 0.21668595759888 35.453 > 33 37 Cl 0.00000000000000 0.15324757441615 0.71668595759888 35.453 > 33 38 Cl 0.25000000000000 0.15324757441615 0.71668595759888 35.453 > 33 39 Cl 0.50000000000000 0.15324757441615 0.71668595759888 35.453 > 33 40 Cl 0.75000000000000 0.15324757441615 0.71668595759888 35.453 > 33 41 Cl 0.12500000000000 0.34675242558385 0.28331404240112 35.453 > 41 42 Cl 0.37500000000000 0.34675242558385 0.28331404240112 35.453 > 41 43 Cl 0.62500000000000 0.34675242558385 0.28331404240112 35.453 > 41 44 Cl 0.87500000000000 0.34675242558385 0.28331404240112 35.453 > 41 45 Cl 0.12500000000000 0.34675242558385 0.78331404240112 35.453 > 41 46 Cl 0.37500000000000 0.34675242558385 0.78331404240112 35.453 > 41 47 Cl 0.62500000000000 0.34675242558385 0.78331404240112 35.453 > 41 48 Cl 0.87500000000000 0.34675242558385 0.78331404240112 35.453 > 41 49 Cl 0.12500000000000 0.65324757441615 0.03331404240112 35.453 > 1 50 Cl 0.37500000000000 0.65324757441615 0.03331404240112 35.453 > 1 51 Cl 0.62500000000000 0.65324757441615 0.03331404240112 35.453 > 1 52 Cl 0.87500000000000 0.65324757441615 0.03331404240112 35.453 > 1 53 Cl 0.12500000000000 0.65324757441615 0.53331404240112 35.453 > 1 54 Cl 0.37500000000000 0.65324757441615 0.53331404240112 35.453 > 1 55 Cl 0.62500000000000 0.65324757441615 0.53331404240112 35.453 > 1 56 Cl 0.87500000000000 0.65324757441615 0.53331404240112 35.453 > 1 57 Cl 0.00000000000000 0.84675242558385 0.46668595759888 35.453 > 9 58 Cl 0.25000000000000 0.84675242558385 0.46668595759888 35.453 > 9 59 Cl 0.50000000000000 0.84675242558385 0.46668595759888 35.453 > 9 60 Cl 0.75000000000000 0.84675242558385 0.46668595759888 35.453 > 9 61 Cl 0.00000000000000 0.84675242558385 0.96668595759888 35.453 > 9 62 Cl 0.25000000000000 0.84675242558385 0.96668595759888 35.453 > 9 63 Cl 0.50000000000000 0.84675242558385 0.96668595759888 35.453 > 9 64 Cl 0.75000000000000 0.84675242558385 0.96668595759888 35.453 > 9 65 Cl 0.00000000000000 0.59211709098240 0.37500000000000 35.453 > 17 66 Cl 0.25000000000000 0.59211709098240 0.37500000000000 35.453 > 17 67 Cl 0.50000000000000 0.59211709098240 0.37500000000000 35.453 > 17 68 Cl 0.75000000000000 0.59211709098240 0.37500000000000 35.453 > 17 69 Cl 0.00000000000000 0.59211709098240 0.87500000000000 35.453 > 17 70 Cl 0.25000000000000 0.59211709098240 0.87500000000000 35.453 > 17 71 Cl 0.50000000000000 0.59211709098240 0.87500000000000 35.453 > 17 72 Cl 0.75000000000000 0.59211709098240 0.87500000000000 35.453 > 17 73 Cl 0.12500000000000 0.90788290901760 0.12500000000000 35.453 > 25 74 Cl 0.37500000000000 0.90788290901760 0.12500000000000 35.453 > 25 75 Cl 0.62500000000000 0.90788290901760 0.12500000000000 35.453 > 25 76 Cl 0.87500000000000 0.90788290901760 0.12500000000000 35.453 > 25 77 Cl 0.12500000000000 0.90788290901760 0.62500000000000 35.453 > 25 78 Cl 0.37500000000000 0.90788290901760 0.62500000000000 35.453 > 25 79 Cl 0.62500000000000 0.90788290901760 0.62500000000000 35.453 > 25 80 Cl 0.87500000000000 0.90788290901760 0.62500000000000 35.453 > 25 81 Cl 0.12500000000000 0.65324757441615 0.21668595759888 35.453 > 33 82 Cl 0.37500000000000 0.65324757441615 0.21668595759888 35.453 > 33 83 Cl 0.62500000000000 0.65324757441615 0.21668595759888 35.453 > 33 84 Cl 0.87500000000000 0.65324757441615 0.21668595759888 35.453 > 33 85 Cl 0.12500000000000 0.65324757441615 0.71668595759888 35.453 > 33 86 Cl 0.37500000000000 0.65324757441615 0.71668595759888 35.453 > 33 87 Cl 0.62500000000000 0.65324757441615 0.71668595759888 35.453 > 33 88 Cl 0.87500000000000 0.65324757441615 0.71668595759888 35.453 > 33 89 Cl 0.00000000000000 0.84675242558385 0.28331404240112 35.453 > 41 90 Cl 0.25000000000000 0.84675242558385 0.28331404240112 35.453 > 41 91 Cl 0.50000000000000 0.84675242558385 0.28331404240112 35.453 > 41 92 Cl 0.75000000000000 0.84675242558385 0.28331404240112 35.453 > 41 93 Cl 0.00000000000000 0.84675242558385 0.78331404240112 35.453 > 41 94 Cl 0.25000000000000 0.84675242558385 0.78331404240112 35.453 > 41 95 Cl 0.50000000000000 0.84675242558385 0.78331404240112 35.453 > 41 96 Cl 0.75000000000000 0.84675242558385 0.78331404240112 35.453 > 41 97 Tb 0.12500000000000 0.25877916624543 0.12500000000000 158.925 > 97 98 Tb 0.37500000000000 0.25877916624543 0.12500000000000 158.925 > 97 99 Tb 0.62500000000000 0.25877916624543 0.12500000000000 158.925 > 97 100 Tb 0.87500000000000 0.25877916624543 0.12500000000000 158.925 > 97 101 Tb 0.12500000000000 0.25877916624543 0.62500000000000 158.925 > 97 102 Tb 0.37500000000000 0.25877916624543 0.62500000000000 158.925 > 97 103 Tb 0.62500000000000 0.25877916624543 0.62500000000000 158.925 > 97 104 Tb 0.87500000000000 0.25877916624543 0.62500000000000 158.925 > 97 105 Tb 0.00000000000000 0.24122083375457 0.37500000000000 158.925 > 105 106 Tb 0.25000000000000 0.24122083375457 0.37500000000000 158.925 > 105 107 Tb 0.50000000000000 0.24122083375457 0.37500000000000 158.925 > 105 108 Tb 0.75000000000000 0.24122083375457 0.37500000000000 158.925 > 105 109 Tb 0.00000000000000 0.24122083375457 0.87500000000000 158.925 > 105 110 Tb 0.25000000000000 0.24122083375457 0.87500000000000 158.925 > 105 111 Tb 0.50000000000000 0.24122083375457 0.87500000000000 158.925 > 105 112 Tb 0.75000000000000 0.24122083375457 0.87500000000000 158.925 > 105 113 Tb 0.00000000000000 0.75877916624543 0.12500000000000 158.925 > 97 114 Tb 0.25000000000000 0.75877916624543 0.12500000000000 158.925 > 97 115 Tb 0.50000000000000 0.75877916624543 0.12500000000000 158.925 > 97 116 Tb 0.75000000000000 0.75877916624543 0.12500000000000 158.925 > 97 117 Tb 0.00000000000000 0.75877916624543 0.62500000000000 158.925 > 97 118 Tb 0.25000000000000 0.75877916624543 0.62500000000000 158.925 > 97 119 Tb 0.50000000000000 0.75877916624543 0.62500000000000 158.925 > 97 120 Tb 0.75000000000000 0.75877916624543 0.62500000000000 158.925 > 97 121 Tb 0.12500000000000 0.74122083375457 0.37500000000000 158.925 > 105 122 Tb 0.37500000000000 0.74122083375457 0.37500000000000 158.925 > 105 123 Tb 0.62500000000000 0.74122083375457 0.37500000000000 158.925 > 105 124 Tb 0.87500000000000 0.74122083375457 0.37500000000000 158.925 > 105 125 Tb 0.12500000000000 0.74122083375457 0.87500000000000 158.925 > 105 126 Tb 0.37500000000000 0.74122083375457 0.87500000000000 158.925 > 105 127 Tb 0.62500000000000 0.74122083375457 0.87500000000000 158.925 > 105 128 Tb 0.87500000000000 0.74122083375457 0.87500000000000 158.925 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0520333 0.0000000 0.0000000 0.0000000 3.0642434 0.0000000 0.0000000 0.0000000 3.9776664 -------------------------- Born effective charges -------------------------- 1 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 -0.1314412 0.0000000 -0.0847347 -1.5935163 2 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 -0.1314412 0.0000000 -0.0847347 -1.5935163 3 Cl -1.8014182 0.0000000 0.0000000 0.0000000 -1.0540693 0.0000000 0.0000000 0.0000000 -0.5858529 4 Cl -1.8014182 0.0000000 0.0000000 0.0000000 -1.0540693 0.0000000 0.0000000 0.0000000 -0.5858529 5 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 0.1314412 0.0000000 0.0847347 -1.5935163 6 Cl -1.3448110 0.0000000 0.0000000 0.0000000 -0.5847925 0.1314412 0.0000000 0.0847347 -1.5935163 7 Tb 4.4910402 0.0000000 0.0000000 0.0000000 2.2236543 0.0000000 0.0000000 0.0000000 3.7728856 8 Tb 4.4910402 0.0000000 0.0000000 0.0000000 2.2236543 0.0000000 0.0000000 0.0000000 3.7728856 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 6 ] 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: 0.71, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/228) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 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 1.876 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.928 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.515 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 8.245 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/228) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.217 ( 11.463 -2.666 0.000) 11.769 0.473 ( 24.749 -0.671 0.000) 24.758 0.840 ( 43.335 -1.094 0.000) 43.349 1.891 ( 1.529 0.078 0.000) 1.531 2.397 ( 14.982 -0.041 0.000) 14.982 3.112 ( 2.415 0.093 0.000) 2.417 3.443 ( 1.136 0.343 0.000) 1.187 3.561 ( -2.402 0.013 0.000) 2.402 3.814 ( -7.176 -0.121 0.000) 7.177 4.061 ( 4.810 0.043 0.000) 4.810 5.335 ( 1.659 0.361 0.000) 1.698 5.443 ( -4.578 1.640 0.000) 4.862 5.517 ( 0.643 -0.114 0.000) 0.653 5.616 ( 4.680 -0.012 0.000) 4.680 5.629 ( -3.701 1.495 0.000) 3.991 6.192 ( 1.933 -0.049 0.000) 1.934 6.257 ( 6.191 -0.456 0.000) 6.207 6.455 ( -1.123 -0.123 0.000) 1.130 6.706 ( -4.680 0.367 0.000) 4.694 7.216 ( 9.854 41.189 0.000) 42.351 7.490 ( -3.240 -1.355 0.000) 3.512 7.639 ( -6.621 -6.059 0.000) 8.974 7.944 ( 1.699 -0.765 0.000) 1.864 8.238 ( -1.022 -0.397 0.000) 1.097 ======================= Grid point 2 (3/228) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 14.119 -1.698 0.000) 14.221 0.944 ( 24.570 -0.596 0.000) 24.577 1.640 ( 40.090 -0.809 0.000) 40.098 1.931 ( 2.798 0.207 0.000) 2.806 2.765 ( 22.449 0.075 0.000) 22.449 3.140 ( -0.638 0.226 0.000) 0.677 3.467 ( 1.211 0.495 0.000) 1.308 3.539 ( 1.164 -0.352 0.000) 1.216 3.645 ( -9.338 0.068 0.000) 9.338 4.166 ( 5.708 0.220 0.000) 5.712 5.277 ( -6.163 0.236 0.000) 6.168 5.449 ( 4.444 0.852 0.000) 4.525 5.534 ( -5.097 -0.606 0.000) 5.133 5.541 ( 1.896 -0.174 0.000) 1.904 5.721 ( 5.619 -0.042 0.000) 5.619 6.237 ( 2.598 0.299 0.000) 2.615 6.363 ( 3.663 -0.564 0.000) 3.706 6.429 ( -1.563 -0.130 0.000) 1.569 6.579 ( -8.109 0.563 0.000) 8.128 7.150 ( 0.919 16.666 0.000) 16.691 7.401 ( -7.745 -4.219 0.000) 8.820 7.542 ( -5.733 -2.963 0.000) 6.453 7.981 ( 3.762 6.500 0.000) 7.510 8.216 ( -1.351 -0.188 0.000) 1.364 ======================= Grid point 3 (4/228) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 16.066 0.213 0.000) 16.068 1.407 ( 23.803 -0.441 0.000) 23.807 1.982 ( 3.063 0.466 0.000) 3.098 2.362 ( 35.118 -0.246 0.000) 35.118 3.062 ( -6.888 0.306 0.000) 6.895 3.201 ( 22.790 0.189 0.000) 22.791 3.386 ( -9.788 -0.398 0.000) 9.796 3.580 ( 3.909 0.985 0.000) 4.031 3.628 ( 6.596 -0.613 0.000) 6.625 4.252 ( 3.179 0.451 0.000) 3.210 5.172 ( -4.724 -0.758 0.000) 4.785 5.399 ( -6.400 -0.236 0.000) 6.404 5.589 ( 7.103 -1.000 0.000) 7.173 5.593 ( 3.319 -0.103 0.000) 3.320 5.805 ( 2.706 -0.091 0.000) 2.708 6.279 ( 2.001 1.120 0.000) 2.293 6.385 ( -3.710 -0.162 0.000) 3.713 6.385 ( -3.904 -0.017 0.000) 3.904 6.428 ( -4.016 -0.909 0.000) 4.118 7.053 ( -4.365 7.502 0.000) 8.680 7.277 ( -6.591 -3.920 0.000) 7.668 7.459 ( -4.052 0.138 0.000) 4.055 8.011 ( 3.353 6.586 0.000) 7.390 8.190 ( -1.571 -0.177 0.000) 1.581 ======================= Grid point 4 (5/228) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 16.643 2.353 0.000) 16.808 1.841 ( 21.457 -0.247 0.000) 21.459 2.029 ( 1.994 0.641 0.000) 2.095 2.905 ( -8.954 0.217 0.000) 8.956 2.967 ( 28.557 0.615 0.000) 28.563 3.211 ( -7.689 -0.082 0.000) 7.689 3.597 ( 18.481 0.169 0.000) 18.482 3.684 ( 6.950 0.506 0.000) 6.968 3.762 ( 5.942 -0.744 0.000) 5.988 4.277 ( 0.006 0.671 0.000) 0.671 5.112 ( -2.394 -2.010 0.000) 3.126 5.282 ( -6.103 -1.515 0.000) 6.288 5.651 ( 2.033 0.218 0.000) 2.045 5.742 ( 8.399 -0.454 0.000) 8.412 5.815 ( -1.646 -0.179 0.000) 1.655 6.240 ( -5.654 1.202 0.000) 5.780 6.275 ( -2.753 0.491 0.000) 2.797 6.351 ( -1.404 -1.315 0.000) 1.924 6.418 ( 0.312 -0.732 0.000) 0.795 6.894 ( -9.075 1.949 0.000) 9.282 7.216 ( -1.585 -0.791 0.000) 1.771 7.384 ( -3.346 1.352 0.000) 3.609 8.032 ( 2.246 4.530 0.000) 5.056 8.158 ( -1.972 -0.188 0.000) 1.981 ======================= Grid point 5 (6/228) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 15.949 3.419 0.000) 16.311 2.040 ( -0.702 0.677 0.000) 0.976 2.199 ( 15.399 -0.146 0.000) 15.399 2.738 ( -8.263 0.089 0.000) 8.263 3.130 ( 0.110 0.364 0.000) 0.381 3.431 ( 20.906 1.115 0.000) 20.936 3.805 ( 0.360 -0.543 0.000) 0.652 3.842 ( 6.458 -0.402 0.000) 6.470 3.876 ( 10.543 0.090 0.000) 10.543 4.263 ( -0.570 0.854 0.000) 1.026 5.106 ( 0.255 -2.756 0.000) 2.768 5.196 ( -3.774 -1.988 0.000) 4.265 5.642 ( -2.447 0.758 0.000) 2.562 5.756 ( -4.372 -0.348 0.000) 4.386 5.910 ( 9.100 -0.329 0.000) 9.106 6.198 ( 1.802 0.809 0.000) 1.975 6.200 ( -4.184 -1.399 0.000) 4.412 6.337 ( -0.905 0.845 0.000) 1.239 6.427 ( -0.122 -0.647 0.000) 0.658 6.702 ( -10.434 0.090 0.000) 10.434 7.209 ( 0.479 0.704 0.000) 0.851 7.319 ( -2.626 1.443 0.000) 2.996 8.043 ( 1.023 2.370 0.000) 2.581 8.119 ( -2.216 -0.268 0.000) 2.232 ======================= Grid point 6 (7/228) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 13.778 2.752 0.000) 14.051 1.985 ( -4.988 0.187 0.000) 4.991 2.406 ( 6.820 -0.127 0.000) 6.821 2.600 ( -6.108 0.008 0.000) 6.108 3.230 ( 10.402 0.803 0.000) 10.433 3.699 ( -10.059 -0.997 0.000) 10.109 3.747 ( 13.245 0.929 0.000) 13.277 3.986 ( 1.183 -0.115 0.000) 1.188 4.002 ( 8.604 -0.425 0.000) 8.614 4.238 ( -2.257 0.833 0.000) 2.405 5.132 ( 0.297 -1.631 0.000) 1.657 5.173 ( 0.271 -1.737 0.000) 1.758 5.588 ( -1.606 0.909 0.000) 1.845 5.669 ( -4.684 -0.533 0.000) 4.715 6.090 ( 9.411 -0.862 0.000) 9.450 6.160 ( -0.591 -1.412 0.000) 1.531 6.268 ( 5.009 0.638 0.000) 5.050 6.299 ( -2.415 1.181 0.000) 2.688 6.412 ( -2.038 -0.626 0.000) 2.132 6.500 ( -10.651 0.428 0.000) 10.659 7.218 ( 0.909 1.042 0.000) 1.383 7.271 ( -1.662 0.602 0.000) 1.768 8.046 ( 0.435 1.023 0.000) 1.112 8.081 ( -1.775 -0.355 0.000) 1.811 ======================= Grid point 7 (8/228) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 -0.000 0.000) 0.000 1.863 ( 0.000 -0.000 0.000) 0.000 2.492 ( 0.000 -0.000 0.000) 0.000 2.514 ( -0.000 -0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.494 ( 0.000 -0.000 0.000) 0.000 3.913 ( -0.000 -0.000 0.000) 0.000 3.950 ( 0.000 -0.000 0.000) 0.000 4.147 ( 0.000 -0.000 0.000) 0.000 4.156 ( -0.000 0.000 0.000) 0.000 5.138 ( 0.000 -0.000 0.000) 0.000 5.189 ( 0.000 -0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.610 ( -0.000 -0.000 0.000) 0.000 6.172 ( 0.000 -0.000 0.000) 0.000 6.240 ( 0.000 -0.000 0.000) 0.000 6.270 ( -0.000 -0.000 0.000) 0.000 6.326 ( 0.000 -0.000 0.000) 0.000 6.350 ( -0.000 -0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 -0.000 0.000) 0.000 7.252 ( 0.000 -0.000 0.000) 0.000 8.049 ( 0.000 -0.000 0.000) 0.000 8.062 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/228) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 14.829 -0.000 0.000) 14.829 0.941 ( 24.692 -0.000 0.000) 24.692 1.635 ( 40.370 -0.000 0.000) 40.370 1.933 ( 2.793 -0.000 0.000) 2.793 2.765 ( 22.484 -0.000 0.000) 22.484 3.142 ( -0.622 0.000 0.000) 0.622 3.471 ( 0.963 -0.000 0.000) 0.963 3.537 ( 1.149 -0.000 0.000) 1.149 3.646 ( -9.163 0.000 0.000) 9.163 4.167 ( 5.745 -0.000 0.000) 5.745 5.278 ( -6.471 0.000 0.000) 6.471 5.454 ( 5.229 -0.000 0.000) 5.229 5.530 ( -6.483 0.000 0.000) 6.483 5.540 ( 1.918 -0.000 0.000) 1.918 5.721 ( 5.614 -0.000 0.000) 5.614 6.239 ( 2.742 -0.000 0.000) 2.742 6.359 ( 3.587 -0.000 0.000) 3.587 6.429 ( -1.491 0.000 0.000) 1.491 6.582 ( -8.196 0.000 0.000) 8.196 7.280 ( -4.112 0.000 0.000) 4.112 7.346 ( -9.654 0.000 0.000) 9.654 7.523 ( -3.627 0.000 0.000) 3.627 8.023 ( 3.589 -0.000 0.000) 3.589 8.215 ( -1.311 0.000 0.000) 1.311 ======================= Grid point 17 (10/228) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 16.967 0.079 0.000) 16.967 1.403 ( 23.936 -0.157 0.000) 23.936 1.986 ( 3.070 0.163 0.000) 3.074 2.361 ( 35.503 -0.088 0.000) 35.503 3.065 ( -6.935 0.109 0.000) 6.936 3.202 ( 22.783 0.062 0.000) 22.783 3.383 ( -9.662 -0.141 0.000) 9.663 3.590 ( 3.502 0.508 0.000) 3.538 3.622 ( 6.773 -0.376 0.000) 6.783 4.256 ( 3.220 0.161 0.000) 3.224 5.165 ( -5.139 -0.300 0.000) 5.148 5.398 ( -7.186 -0.057 0.000) 7.186 5.581 ( 7.558 -0.406 0.000) 7.568 5.592 ( 3.404 -0.036 0.000) 3.405 5.804 ( 2.691 -0.033 0.000) 2.691 6.289 ( 2.567 0.563 0.000) 2.628 6.371 ( -2.470 -0.750 0.000) 2.581 6.401 ( -4.173 1.291 0.000) 4.369 6.416 ( -5.738 -1.099 0.000) 5.842 7.127 ( -9.552 4.681 0.000) 10.637 7.231 ( -3.656 -3.428 0.000) 5.011 7.460 ( -3.305 0.036 0.000) 3.305 8.066 ( 1.985 2.635 0.000) 3.299 8.189 ( -1.547 -0.063 0.000) 1.548 ======================= Grid point 18 (11/228) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 17.267 1.260 0.000) 17.313 1.839 ( 21.562 -0.136 0.000) 21.562 2.035 ( 2.007 0.343 0.000) 2.036 2.907 ( -9.034 0.118 0.000) 9.035 2.972 ( 28.893 0.353 0.000) 28.895 3.210 ( -7.498 -0.045 0.000) 7.499 3.598 ( 18.429 0.078 0.000) 18.429 3.689 ( 6.735 0.377 0.000) 6.746 3.755 ( 5.839 -0.509 0.000) 5.861 4.283 ( 0.054 0.372 0.000) 0.376 5.093 ( -2.823 -1.165 0.000) 3.054 5.269 ( -6.381 -0.827 0.000) 6.435 5.653 ( 2.248 0.122 0.000) 2.251 5.738 ( 8.624 -0.306 0.000) 8.630 5.814 ( -1.682 -0.095 0.000) 1.685 6.252 ( -5.954 0.724 0.000) 5.998 6.279 ( -4.789 0.264 0.000) 4.797 6.339 ( 0.732 -0.697 0.000) 1.011 6.411 ( 0.459 -0.468 0.000) 0.655 6.912 ( -11.006 1.148 0.000) 11.065 7.209 ( -0.296 -0.493 0.000) 0.575 7.396 ( -3.197 0.665 0.000) 3.266 8.075 ( 0.738 2.734 0.000) 2.832 8.156 ( -1.981 -0.106 0.000) 1.984 ======================= Grid point 19 (12/228) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 15.804 2.245 0.000) 15.963 2.047 ( -0.824 0.453 0.000) 0.941 2.197 ( 15.419 -0.100 0.000) 15.420 2.739 ( -8.330 0.058 0.000) 8.330 3.133 ( 0.358 0.259 0.000) 0.442 3.442 ( 20.943 0.814 0.000) 20.959 3.800 ( -0.953 -0.332 0.000) 1.009 3.837 ( 7.493 -0.323 0.000) 7.500 3.877 ( 10.464 0.034 0.000) 10.464 4.272 ( -0.575 0.585 0.000) 0.820 5.078 ( 0.407 -1.960 0.000) 2.001 5.177 ( -3.688 -1.347 0.000) 3.926 5.650 ( -2.245 0.538 0.000) 2.308 5.753 ( -4.468 -0.237 0.000) 4.474 5.907 ( 9.022 -0.243 0.000) 9.025 6.186 ( -4.355 -0.951 0.000) 4.458 6.206 ( 1.584 0.576 0.000) 1.686 6.346 ( -0.482 0.627 0.000) 0.791 6.420 ( -0.068 -0.479 0.000) 0.484 6.702 ( -10.736 0.037 0.000) 10.736 7.216 ( 0.819 0.430 0.000) 0.925 7.333 ( -2.914 0.944 0.000) 3.063 8.068 ( -0.038 1.797 0.000) 1.797 8.116 ( -2.267 -0.207 0.000) 2.276 ======================= Grid point 20 (13/228) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 12.923 2.092 0.000) 13.092 1.987 ( -5.522 0.110 0.000) 5.523 2.405 ( 6.869 -0.093 0.000) 6.870 2.600 ( -6.138 -0.006 0.000) 6.138 3.239 ( 10.573 0.674 0.000) 10.595 3.688 ( -10.071 -0.819 0.000) 10.105 3.757 ( 13.003 0.809 0.000) 13.028 3.984 ( 0.998 -0.144 0.000) 1.008 3.998 ( 8.438 -0.348 0.000) 8.446 4.247 ( -2.333 0.661 0.000) 2.425 5.116 ( 1.629 -1.119 0.000) 1.977 5.154 ( 0.569 -1.553 0.000) 1.654 5.599 ( -1.650 0.807 0.000) 1.837 5.663 ( -4.787 -0.479 0.000) 4.811 6.081 ( 9.062 -0.637 0.000) 9.084 6.146 ( -0.206 -1.031 0.000) 1.051 6.275 ( 4.957 0.513 0.000) 4.983 6.311 ( -2.599 0.889 0.000) 2.747 6.405 ( -2.022 -0.527 0.000) 2.089 6.504 ( -10.234 0.257 0.000) 10.237 7.229 ( 0.817 0.757 0.000) 1.113 7.278 ( -2.318 0.480 0.000) 2.367 8.057 ( -0.124 0.911 0.000) 0.920 8.077 ( -1.768 -0.301 0.000) 1.793 ======================= Grid point 21 (14/228) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -7.033 -0.439 0.000) 7.047 1.865 ( 5.047 0.280 0.000) 5.054 2.493 ( 0.286 0.176 0.000) 0.335 2.512 ( -0.191 -0.181 0.000) 0.263 3.444 ( -5.751 0.028 0.000) 5.751 3.494 ( 5.837 -0.024 0.000) 5.837 3.914 ( -2.097 0.189 0.000) 2.106 3.949 ( 1.603 -0.187 0.000) 1.613 4.143 ( 5.471 -0.520 0.000) 5.496 4.160 ( -5.707 0.513 0.000) 5.730 5.140 ( 1.067 0.460 0.000) 1.162 5.187 ( 1.124 -0.380 0.000) 1.187 5.581 ( -1.530 -0.152 0.000) 1.537 5.612 ( 1.289 0.186 0.000) 1.302 6.171 ( 1.512 -0.270 0.000) 1.536 6.243 ( 1.541 0.475 0.000) 1.612 6.270 ( 1.314 -0.062 0.000) 1.315 6.325 ( -3.910 -0.156 0.000) 3.913 6.347 ( -3.475 -0.432 0.000) 3.502 6.363 ( 3.468 0.404 0.000) 3.492 7.226 ( -1.111 0.058 0.000) 1.112 7.252 ( 0.004 -0.117 0.000) 0.117 8.047 ( -0.842 -0.262 0.000) 0.882 8.064 ( 0.559 0.317 0.000) 0.643 ======================= Grid point 22 (15/228) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -14.810 -2.917 0.000) 15.095 1.983 ( 4.435 -0.240 0.000) 4.441 2.408 ( -6.780 0.139 0.000) 6.782 2.600 ( 6.090 -0.025 0.000) 6.090 3.221 ( -10.242 -0.764 0.000) 10.270 3.710 ( 10.094 0.975 0.000) 10.141 3.737 ( -13.524 -0.853 0.000) 13.550 3.987 ( -1.363 0.056 0.000) 1.364 4.007 ( -8.803 0.415 0.000) 8.812 4.228 ( 2.170 -0.842 0.000) 2.328 5.153 ( 0.778 1.862 0.000) 2.018 5.192 ( 0.415 1.546 0.000) 1.601 5.578 ( 1.509 -0.840 0.000) 1.727 5.675 ( 4.618 0.504 0.000) 4.645 6.100 ( -9.807 0.966 0.000) 9.855 6.178 ( 1.029 1.598 0.000) 1.901 6.260 ( -5.065 -0.641 0.000) 5.105 6.284 ( 2.195 -1.307 0.000) 2.554 6.419 ( 2.052 0.596 0.000) 2.137 6.494 ( 11.153 -0.582 0.000) 11.168 7.206 ( -1.155 -1.137 0.000) 1.621 7.264 ( 1.026 -0.617 0.000) 1.198 8.035 ( -0.962 -0.917 0.000) 1.329 8.085 ( 1.744 0.352 0.000) 1.779 ======================= Grid point 23 (16/228) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -16.137 -4.043 0.000) 16.635 2.032 ( 0.545 -0.784 0.000) 0.955 2.201 ( -15.373 0.164 0.000) 15.374 2.737 ( 8.178 -0.105 0.000) 8.179 3.125 ( 0.191 -0.390 0.000) 0.434 3.417 ( -20.875 -1.167 0.000) 20.908 3.812 ( -1.931 0.703 0.000) 2.055 3.846 ( -5.226 0.344 0.000) 5.237 3.875 ( -10.640 -0.150 0.000) 10.641 4.253 ( 0.566 -0.959 0.000) 1.113 5.139 ( -0.107 2.953 0.000) 2.955 5.221 ( 3.877 2.263 0.000) 4.489 5.633 ( 2.668 -0.820 0.000) 2.791 5.760 ( 4.279 0.400 0.000) 4.298 5.914 ( -9.283 0.345 0.000) 9.290 6.188 ( -2.045 -0.876 0.000) 2.225 6.217 ( 3.722 1.506 0.000) 4.015 6.328 ( 1.714 -0.760 0.000) 1.875 6.435 ( 0.167 0.665 0.000) 0.685 6.700 ( 10.113 -0.163 0.000) 10.114 7.199 ( -0.008 -0.951 0.000) 0.951 7.300 ( 2.155 -1.660 0.000) 2.720 8.015 ( -2.214 -2.345 0.000) 3.225 8.122 ( 2.165 0.282 0.000) 2.183 ======================= Grid point 24 (17/228) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -15.647 -3.052 0.000) 15.942 1.844 ( -21.306 0.312 0.000) 21.308 2.020 ( -1.981 -0.843 0.000) 2.152 2.902 ( 8.837 -0.279 0.000) 8.841 2.959 ( -28.100 -0.746 0.000) 28.110 3.212 ( 7.958 0.103 0.000) 7.958 3.594 ( -18.556 -0.258 0.000) 18.558 3.678 ( -7.243 -0.443 0.000) 7.257 3.771 ( -6.106 0.742 0.000) 6.151 4.268 ( 0.068 -0.837 0.000) 0.839 5.137 ( 1.758 2.384 0.000) 2.962 5.302 ( 5.683 1.890 0.000) 5.989 5.648 ( -1.718 -0.270 0.000) 1.739 5.747 ( -8.150 0.374 0.000) 8.158 5.818 ( 1.583 0.239 0.000) 1.601 6.225 ( 5.338 -1.373 0.000) 5.512 6.268 ( 1.140 -0.603 0.000) 1.290 6.369 ( 3.113 1.717 0.000) 3.555 6.427 ( -0.211 0.771 0.000) 0.799 6.869 ( 6.658 -2.228 0.000) 7.021 7.226 ( 3.127 0.823 0.000) 3.234 7.365 ( 3.508 -1.962 0.000) 4.019 7.976 ( -4.054 -4.942 0.000) 6.392 8.160 ( 1.967 0.231 0.000) 1.980 ======================= Grid point 25 (18/228) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -14.361 -0.197 0.000) 14.363 1.413 ( -23.566 0.640 0.000) 23.575 1.975 ( -3.037 -0.698 0.000) 3.117 2.366 ( -34.444 0.324 0.000) 34.446 3.058 ( 6.804 -0.446 0.000) 6.819 3.198 ( -22.806 -0.312 0.000) 22.808 3.392 ( 10.038 0.580 0.000) 10.054 3.569 ( -4.227 -1.035 0.000) 4.352 3.634 ( -6.720 0.489 0.000) 6.738 4.246 ( -3.104 -0.648 0.000) 3.171 5.182 ( 3.947 0.934 0.000) 4.055 5.403 ( 5.209 0.450 0.000) 5.229 5.594 ( -3.164 0.157 0.000) 3.168 5.602 ( -6.531 1.093 0.000) 6.622 5.806 ( -2.738 0.129 0.000) 2.741 6.266 ( -1.549 -1.082 0.000) 1.889 6.368 ( 6.802 -1.457 0.000) 6.956 6.405 ( 1.012 1.768 0.000) 2.037 6.437 ( 2.989 0.674 0.000) 3.064 6.960 ( -0.654 -8.385 0.000) 8.410 7.318 ( 7.471 3.151 0.000) 8.109 7.456 ( 5.539 -0.310 0.000) 5.548 7.926 ( -4.826 -7.686 0.000) 9.075 8.192 ( 1.618 0.260 0.000) 1.639 ======================= Grid point 26 (19/228) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -12.223 3.122 0.000) 12.615 0.954 ( -24.237 1.067 0.000) 24.260 1.653 ( -39.315 1.378 0.000) 39.339 1.928 ( -2.808 -0.336 0.000) 2.828 2.763 ( -22.354 -0.172 0.000) 22.355 3.137 ( 0.686 -0.409 0.000) 0.798 3.460 ( -1.770 -0.692 0.000) 1.901 3.543 ( -1.342 0.349 0.000) 1.386 3.645 ( 9.831 -0.038 0.000) 9.831 4.162 ( -5.603 -0.397 0.000) 5.617 5.272 ( 5.353 -0.560 0.000) 5.382 5.437 ( -3.568 -1.134 0.000) 3.743 5.541 ( 2.443 0.469 0.000) 2.488 5.544 ( -1.835 0.319 0.000) 1.863 5.722 ( -5.635 0.073 0.000) 5.636 6.232 ( -2.271 -0.448 0.000) 2.315 6.371 ( -3.859 0.791 0.000) 3.939 6.432 ( 1.774 0.279 0.000) 1.796 6.569 ( 7.855 -1.058 0.000) 7.926 6.931 ( -11.878 -20.438 0.000) 23.639 7.436 ( 5.752 2.261 0.000) 6.180 7.581 ( 8.094 3.433 0.000) 8.792 7.896 ( -2.342 -7.440 0.000) 7.800 8.219 ( 1.446 0.345 0.000) 1.486 ======================= Grid point 27 (20/228) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( -8.824 6.363 0.000) 10.879 0.488 ( -23.969 1.825 0.000) 24.038 0.864 ( -42.031 2.886 0.000) 42.130 1.890 ( -1.434 -0.126 0.000) 1.439 2.398 ( -14.903 0.073 0.000) 14.903 3.110 ( -2.405 -0.257 0.000) 2.418 3.436 ( -1.130 -0.881 0.000) 1.433 3.560 ( 2.189 -0.136 0.000) 2.193 3.817 ( 7.276 0.358 0.000) 7.285 4.060 ( -4.731 -0.123 0.000) 4.733 5.327 ( -1.773 -1.158 0.000) 2.118 5.404 ( -1.741 -5.160 0.000) 5.446 5.520 ( -0.626 0.320 0.000) 0.703 5.597 ( 1.291 -3.830 0.000) 4.041 5.617 ( -4.692 0.033 0.000) 4.692 6.193 ( -1.793 -0.069 0.000) 1.795 6.266 ( -5.877 1.008 0.000) 5.963 6.458 ( 1.155 0.370 0.000) 1.213 6.661 ( -41.530 -44.264 0.000) 60.697 6.697 ( 4.629 -1.052 0.000) 4.747 7.503 ( 2.537 1.279 0.000) 2.842 7.678 ( 2.830 1.466 0.000) 3.187 7.950 ( 6.021 0.067 0.000) 6.022 8.244 ( 1.448 0.593 0.000) 1.565 ======================= Grid point 28 (21/228) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.086 ( -0.000 7.337 0.000) 7.337 0.115 ( -0.000 9.830 0.000) 9.830 0.149 ( -0.000 12.767 0.000) 12.767 1.877 ( -0.000 0.096 0.000) 0.096 2.247 ( -0.000 0.110 0.000) 0.110 3.084 ( 0.000 -0.176 0.000) 0.176 3.429 ( 0.000 -0.641 0.000) 0.641 3.588 ( 0.000 -0.240 0.000) 0.240 3.888 ( -0.000 0.337 0.000) 0.337 4.010 ( 0.000 -0.015 0.000) 0.015 4.845 ( -0.000 0.131 0.000) 0.131 5.311 ( 0.000 -0.412 0.000) 0.412 5.513 ( -0.000 0.237 0.000) 0.237 5.568 ( -0.000 0.010 0.000) 0.010 5.636 ( 0.000 -2.536 0.000) 2.536 5.926 ( 0.000 -0.366 0.000) 0.366 6.182 ( -0.000 1.665 0.000) 1.665 6.185 ( -0.000 0.414 0.000) 0.414 6.468 ( -0.000 0.270 0.000) 0.270 6.748 ( 0.000 -0.763 0.000) 0.763 7.520 ( -0.000 0.868 0.000) 0.868 7.691 ( -0.000 0.090 0.000) 0.090 8.058 ( 0.000 -0.507 0.000) 0.507 8.265 ( -0.000 0.335 0.000) 0.335 ======================= Grid point 31 (22/228) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 17.480 -0.000 0.000) 17.480 1.838 ( 21.599 -0.000 0.000) 21.599 2.037 ( 2.012 -0.000 0.000) 2.012 2.908 ( -9.063 0.000 0.000) 9.063 2.975 ( 29.017 -0.000 0.000) 29.017 3.210 ( -7.430 0.000 0.000) 7.430 3.599 ( 18.410 -0.000 0.000) 18.410 3.692 ( 6.656 -0.000 0.000) 6.656 3.752 ( 5.804 -0.000 0.000) 5.804 4.285 ( 0.071 -0.000 0.000) 0.071 5.086 ( -2.972 0.000 0.000) 2.972 5.264 ( -6.480 0.000 0.000) 6.480 5.653 ( 2.324 -0.000 0.000) 2.324 5.736 ( 8.713 -0.000 0.000) 8.713 5.813 ( -1.694 0.000 0.000) 1.694 6.256 ( -6.086 0.000 0.000) 6.086 6.281 ( -5.829 0.000 0.000) 5.829 6.335 ( 1.814 -0.000 0.000) 1.814 6.408 ( 0.536 -0.000 0.000) 0.536 6.919 ( -11.763 0.000 0.000) 11.763 7.206 ( 0.228 -0.000 0.000) 0.228 7.400 ( -3.139 0.000 0.000) 3.139 8.091 ( 0.149 -0.000 0.000) 0.149 8.155 ( -1.988 0.000 0.000) 1.988 ======================= Grid point 32 (23/228) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 15.727 0.778 0.000) 15.746 2.050 ( -0.891 0.159 0.000) 0.905 2.196 ( 15.431 -0.036 0.000) 15.431 2.739 ( -8.367 0.020 0.000) 8.367 3.135 ( 0.499 0.094 0.000) 0.507 3.449 ( 20.967 0.300 0.000) 20.969 3.797 ( -1.748 -0.110 0.000) 1.751 3.835 ( 8.131 -0.124 0.000) 8.132 3.877 ( 10.420 0.006 0.000) 10.420 4.276 ( -0.578 0.208 0.000) 0.615 5.062 ( 0.510 -0.709 0.000) 0.873 5.166 ( -3.645 -0.475 0.000) 3.676 5.654 ( -2.120 0.195 0.000) 2.129 5.751 ( -4.531 -0.084 0.000) 4.532 5.905 ( 9.004 -0.090 0.000) 9.004 6.179 ( -4.405 -0.334 0.000) 4.418 6.211 ( 1.453 0.210 0.000) 1.468 6.351 ( -0.301 0.229 0.000) 0.378 6.416 ( -0.029 -0.178 0.000) 0.181 6.703 ( -10.916 0.009 0.000) 10.916 7.219 ( 0.989 0.145 0.000) 0.999 7.340 ( -3.039 0.324 0.000) 3.056 8.082 ( -0.653 0.683 0.000) 0.945 8.114 ( -2.313 -0.089 0.000) 2.315 ======================= Grid point 33 (24/228) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 12.374 1.118 0.000) 12.425 1.988 ( -5.914 0.046 0.000) 5.914 2.404 ( 6.911 -0.048 0.000) 6.911 2.600 ( -6.167 -0.008 0.000) 6.167 3.245 ( 10.709 0.387 0.000) 10.716 3.681 ( -10.106 -0.463 0.000) 10.117 3.765 ( 12.844 0.478 0.000) 12.853 3.983 ( 0.853 -0.103 0.000) 0.859 3.995 ( 8.331 -0.196 0.000) 8.334 4.253 ( -2.385 0.365 0.000) 2.412 5.107 ( 2.929 -0.517 0.000) 2.975 5.139 ( 0.421 -0.955 0.000) 1.043 5.606 ( -1.618 0.501 0.000) 1.694 5.658 ( -4.921 -0.308 0.000) 4.931 6.075 ( 8.818 -0.337 0.000) 8.825 6.137 ( 0.062 -0.539 0.000) 0.543 6.279 ( 4.919 0.287 0.000) 4.928 6.319 ( -2.720 0.476 0.000) 2.761 6.400 ( -2.009 -0.304 0.000) 2.032 6.506 ( -9.961 0.115 0.000) 9.962 7.236 ( 0.815 0.386 0.000) 0.902 7.282 ( -2.807 0.268 0.000) 2.819 8.066 ( -0.609 0.602 0.000) 0.857 8.074 ( -1.690 -0.234 0.000) 1.707 ======================= Grid point 34 (25/228) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -10.752 -0.467 0.000) 10.762 1.868 ( 7.172 0.268 0.000) 7.177 2.496 ( 0.701 0.315 0.000) 0.769 2.510 ( -0.530 -0.321 0.000) 0.620 3.444 ( -10.511 0.035 0.000) 10.511 3.494 ( 10.666 -0.030 0.000) 10.666 3.917 ( -4.416 0.280 0.000) 4.425 3.946 ( 3.524 -0.278 0.000) 3.535 4.137 ( 5.998 -0.402 0.000) 6.011 4.166 ( -6.423 0.393 0.000) 6.435 5.148 ( 1.894 0.792 0.000) 2.052 5.181 ( 2.056 -0.692 0.000) 2.169 5.579 ( -2.436 -0.163 0.000) 2.442 5.614 ( 2.002 0.206 0.000) 2.013 6.167 ( 2.522 -0.296 0.000) 2.540 6.250 ( 3.969 0.655 0.000) 4.023 6.268 ( 1.748 -0.174 0.000) 1.757 6.323 ( -7.421 -0.201 0.000) 7.424 6.342 ( -4.048 -0.355 0.000) 4.063 6.368 ( 4.035 0.320 0.000) 4.048 7.227 ( -2.092 0.085 0.000) 2.094 7.250 ( 0.100 -0.158 0.000) 0.187 8.044 ( -1.133 -0.224 0.000) 1.155 8.068 ( 0.623 0.292 0.000) 0.688 ======================= Grid point 35 (26/228) ======================= q-point: (-0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -15.814 -2.464 0.000) 16.004 1.980 ( 3.968 -0.229 0.000) 3.975 2.409 ( -6.760 0.121 0.000) 6.761 2.600 ( 6.089 -0.033 0.000) 6.089 3.213 ( -10.119 -0.588 0.000) 10.136 3.721 ( 10.165 0.769 0.000) 10.194 3.728 ( -13.781 -0.636 0.000) 13.796 3.987 ( -1.508 0.007 0.000) 1.508 4.012 ( -8.998 0.326 0.000) 9.004 4.219 ( 2.091 -0.682 0.000) 2.200 5.174 ( 1.422 1.694 0.000) 2.212 5.208 ( 1.314 1.069 0.000) 1.694 5.570 ( 1.405 -0.638 0.000) 1.543 5.680 ( 4.576 0.396 0.000) 4.593 6.111 ( -10.208 0.888 0.000) 10.246 6.196 ( 1.471 1.495 0.000) 2.097 6.254 ( -5.112 -0.519 0.000) 5.138 6.269 ( 1.965 -1.224 0.000) 2.315 6.425 ( 2.061 0.460 0.000) 2.111 6.487 ( 11.656 -0.612 0.000) 11.672 7.193 ( -1.511 -0.970 0.000) 1.795 7.258 ( 0.540 -0.514 0.000) 0.745 8.025 ( -1.372 -0.662 0.000) 1.524 8.089 ( 1.698 0.282 0.000) 1.721 ======================= Grid point 36 (27/228) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -16.327 -3.876 0.000) 16.781 2.023 ( 0.382 -0.735 0.000) 0.829 2.202 ( -15.347 0.150 0.000) 15.348 2.736 ( 8.094 -0.101 0.000) 8.094 3.121 ( 0.484 -0.338 0.000) 0.590 3.405 ( -20.862 -0.998 0.000) 20.886 3.821 ( -3.696 0.763 0.000) 3.774 3.849 ( -3.793 0.179 0.000) 3.797 3.873 ( -10.738 -0.174 0.000) 10.739 4.242 ( 0.565 -0.875 0.000) 1.041 5.172 ( 0.028 2.570 0.000) 2.570 5.247 ( 3.937 2.081 0.000) 4.453 5.624 ( 2.863 -0.721 0.000) 2.952 5.765 ( 4.208 0.376 0.000) 4.225 5.918 ( -9.572 0.307 0.000) 9.577 6.179 ( -2.265 -0.779 0.000) 2.395 6.233 ( 2.760 1.113 0.000) 2.976 6.321 ( 3.065 -0.306 0.000) 3.080 6.442 ( 0.192 0.559 0.000) 0.591 6.698 ( 9.873 -0.221 0.000) 9.876 7.188 ( 0.469 -1.092 0.000) 1.188 7.282 ( 1.592 -1.471 0.000) 2.168 7.991 ( -3.250 -1.864 0.000) 3.746 8.125 ( 2.118 0.245 0.000) 2.132 ======================= Grid point 37 (28/228) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -14.361 -3.144 0.000) 14.701 1.848 ( -21.135 0.317 0.000) 21.138 2.010 ( -1.973 -0.893 0.000) 2.165 2.899 ( 8.706 -0.288 0.000) 8.711 2.950 ( -27.643 -0.744 0.000) 27.653 3.213 ( 8.248 0.105 0.000) 8.249 3.591 ( -18.637 -0.304 0.000) 18.639 3.674 ( -7.547 -0.308 0.000) 7.553 3.779 ( -6.306 0.608 0.000) 6.336 4.258 ( 0.156 -0.836 0.000) 0.850 5.165 ( 1.060 2.315 0.000) 2.546 5.324 ( 5.159 1.816 0.000) 5.469 5.645 ( -1.365 -0.268 0.000) 1.391 5.750 ( -8.004 0.140 0.000) 8.005 5.821 ( 1.499 0.260 0.000) 1.522 6.210 ( 5.081 -1.281 0.000) 5.240 6.262 ( 0.291 -0.560 0.000) 0.631 6.389 ( 3.980 1.775 0.000) 4.358 6.435 ( -0.182 0.660 0.000) 0.684 6.845 ( 4.358 -1.990 0.000) 4.791 7.234 ( 4.610 0.597 0.000) 4.649 7.340 ( 3.581 -2.206 0.000) 4.206 7.923 ( -5.578 -4.181 0.000) 6.971 8.163 ( 1.967 0.228 0.000) 1.981 ======================= Grid point 38 (29/228) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -12.018 0.097 0.000) 12.018 1.421 ( -23.273 0.714 0.000) 23.284 1.967 ( -2.980 -0.811 0.000) 3.088 2.369 ( -33.667 0.267 0.000) 33.668 3.052 ( 6.704 -0.500 0.000) 6.722 3.194 ( -22.826 -0.392 0.000) 22.830 3.399 ( 10.399 0.648 0.000) 10.419 3.557 ( -4.545 -0.899 0.000) 4.633 3.639 ( -7.005 0.286 0.000) 7.010 4.238 ( -3.011 -0.714 0.000) 3.095 5.192 ( 2.954 0.928 0.000) 3.096 5.409 ( 3.962 0.497 0.000) 3.993 5.596 ( -2.969 0.184 0.000) 2.975 5.613 ( -6.136 0.697 0.000) 6.176 5.808 ( -2.783 0.142 0.000) 2.787 6.255 ( -1.277 -0.805 0.000) 1.510 6.352 ( 7.536 -1.333 0.000) 7.653 6.424 ( 0.267 1.469 0.000) 1.493 6.444 ( 2.164 0.459 0.000) 2.213 6.865 ( -5.690 -7.961 0.000) 9.785 7.349 ( 7.519 2.353 0.000) 7.879 7.451 ( 7.632 -0.513 0.000) 7.649 7.843 ( -5.493 -6.436 0.000) 8.461 8.196 ( 1.684 0.296 0.000) 1.710 ======================= Grid point 39 (30/228) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -9.590 4.296 0.000) 10.508 0.968 ( -23.771 1.319 0.000) 23.808 1.670 ( -38.263 1.483 0.000) 38.291 1.924 ( -2.815 -0.365 0.000) 2.839 2.761 ( -22.224 -0.264 0.000) 22.226 3.131 ( 0.756 -0.513 0.000) 0.913 3.453 ( -2.387 -0.634 0.000) 2.470 3.546 ( -1.739 0.050 0.000) 1.739 3.645 ( 10.495 0.110 0.000) 10.495 4.157 ( -5.456 -0.495 0.000) 5.478 5.264 ( 4.298 -0.820 0.000) 4.376 5.424 ( -3.665 -1.208 0.000) 3.859 5.543 ( -0.235 -0.195 0.000) 0.305 5.548 ( -1.748 0.407 0.000) 1.794 5.723 ( -5.657 0.086 0.000) 5.658 6.226 ( -2.146 -0.686 0.000) 2.253 6.380 ( -4.121 0.657 0.000) 4.173 6.436 ( 2.110 0.463 0.000) 2.161 6.555 ( 7.460 -1.432 0.000) 7.596 6.704 ( -19.911 -18.105 0.000) 26.912 7.459 ( 5.115 1.878 0.000) 5.449 7.616 ( 8.455 2.712 0.000) 8.879 7.820 ( 0.694 -5.672 0.000) 5.715 8.224 ( 1.573 0.450 0.000) 1.636 ======================= Grid point 40 (31/228) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -6.009 8.210 0.000) 10.174 0.513 ( -22.722 2.512 0.000) 22.861 0.903 ( -40.140 3.567 0.000) 40.299 1.889 ( -1.203 -0.061 0.000) 1.204 2.398 ( -14.765 0.055 0.000) 14.765 3.106 ( -2.380 -0.362 0.000) 2.407 3.424 ( -1.179 -1.108 0.000) 1.618 3.557 ( 1.882 -0.406 0.000) 1.925 3.822 ( 7.433 0.557 0.000) 7.454 4.058 ( -4.591 -0.183 0.000) 4.594 5.301 ( -8.135 -4.546 0.000) 9.319 5.336 ( -6.483 -4.908 0.000) 8.131 5.524 ( -0.596 0.468 0.000) 0.758 5.549 ( -0.334 -4.135 0.000) 4.149 5.617 ( -4.712 0.045 0.000) 4.712 6.175 ( -7.803 -5.421 0.000) 9.502 6.271 ( -10.421 -2.643 0.000) 10.751 6.312 ( -23.524 -12.242 0.000) 26.518 6.464 ( 1.209 0.616 0.000) 1.357 6.682 ( 4.539 -1.597 0.000) 4.812 7.521 ( 2.504 1.760 0.000) 3.061 7.687 ( 1.182 0.483 0.000) 1.277 7.947 ( 8.372 -0.573 0.000) 8.392 8.251 ( 1.663 0.689 0.000) 1.800 ======================= Grid point 41 (32/228) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( -0.000 6.787 0.000) 6.787 0.224 ( -0.000 9.099 0.000) 9.099 0.292 ( -0.000 11.849 0.000) 11.849 1.879 ( -0.000 0.174 0.000) 0.174 2.249 ( -0.000 0.198 0.000) 0.198 3.081 ( 0.000 -0.306 0.000) 0.306 3.419 ( 0.000 -1.070 0.000) 1.070 3.584 ( 0.000 -0.532 0.000) 0.532 3.894 ( -0.000 0.611 0.000) 0.611 4.010 ( 0.000 -0.027 0.000) 0.027 4.847 ( -0.000 0.248 0.000) 0.248 5.304 ( 0.000 -0.758 0.000) 0.758 5.517 ( -0.000 0.429 0.000) 0.429 5.568 ( -0.000 0.018 0.000) 0.018 5.596 ( 0.000 -4.112 0.000) 4.112 5.920 ( 0.000 -0.618 0.000) 0.618 6.191 ( -0.000 0.708 0.000) 0.708 6.207 ( -0.000 2.515 0.000) 2.515 6.472 ( -0.000 0.535 0.000) 0.535 6.735 ( 0.000 -1.419 0.000) 1.419 7.534 ( -0.000 1.546 0.000) 1.546 7.693 ( -0.000 0.286 0.000) 0.286 8.049 ( 0.000 -0.984 0.000) 0.984 8.270 ( -0.000 0.593 0.000) 0.593 ======================= Grid point 46 (33/228) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 12.187 -0.000 0.000) 12.187 1.988 ( -6.059 0.000 0.000) 6.059 2.404 ( 6.927 -0.000 0.000) 6.927 2.600 ( -6.179 0.000 0.000) 6.179 3.247 ( 10.762 -0.000 0.000) 10.762 3.678 ( -10.125 0.000 0.000) 10.125 3.768 ( 12.790 -0.000 0.000) 12.790 3.982 ( 0.797 -0.000 0.000) 0.797 3.994 ( 8.294 -0.000 0.000) 8.294 4.255 ( -2.403 0.000 0.000) 2.403 5.104 ( 3.556 -0.000 0.000) 3.556 5.133 ( 0.209 -0.000 0.000) 0.209 5.609 ( -1.577 0.000 0.000) 1.577 5.656 ( -4.999 0.000 0.000) 4.999 6.073 ( 8.730 -0.000 0.000) 8.730 6.134 ( 0.158 -0.000 0.000) 0.158 6.281 ( 4.906 -0.000 0.000) 4.906 6.322 ( -2.762 0.000 0.000) 2.762 6.398 ( -2.004 0.000 0.000) 2.004 6.507 ( -9.866 0.000 0.000) 9.866 7.238 ( 0.824 -0.000 0.000) 0.824 7.284 ( -2.985 0.000 0.000) 2.985 8.071 ( -0.504 0.000 0.000) 0.504 8.072 ( -1.946 0.000 0.000) 1.946 ======================= Grid point 47 (34/228) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -12.209 -0.190 0.000) 12.210 1.870 ( 7.743 0.102 0.000) 7.744 2.500 ( 2.053 0.358 0.000) 2.084 2.505 ( -1.841 -0.360 0.000) 1.876 3.444 ( -13.261 0.016 0.000) 13.262 3.494 ( 13.454 -0.014 0.000) 13.454 3.919 ( -6.629 0.153 0.000) 6.630 3.944 ( 5.517 -0.152 0.000) 5.519 4.134 ( 6.064 -0.146 0.000) 6.066 4.169 ( -6.595 0.142 0.000) 6.596 5.157 ( 2.214 0.768 0.000) 2.343 5.172 ( 2.712 -0.724 0.000) 2.807 5.578 ( -2.807 -0.066 0.000) 2.808 5.616 ( 2.266 0.085 0.000) 2.268 6.165 ( 2.987 -0.121 0.000) 2.989 6.257 ( 8.332 0.449 0.000) 8.344 6.266 ( -0.631 -0.243 0.000) 0.676 6.321 ( -9.671 -0.092 0.000) 9.671 6.339 ( -4.168 -0.132 0.000) 4.170 6.370 ( 4.153 0.116 0.000) 4.154 7.228 ( -2.736 0.044 0.000) 2.737 7.248 ( 0.255 -0.076 0.000) 0.266 8.043 ( -1.225 -0.082 0.000) 1.228 8.070 ( 0.589 0.113 0.000) 0.600 ======================= Grid point 48 (35/228) ======================= q-point: (-0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -16.551 -1.417 0.000) 16.611 1.978 ( 3.661 -0.141 0.000) 3.664 2.411 ( -6.754 0.071 0.000) 6.755 2.599 ( 6.096 -0.023 0.000) 6.096 3.208 ( -10.043 -0.317 0.000) 10.048 3.722 ( -13.962 -0.336 0.000) 13.966 3.728 ( 10.234 0.423 0.000) 10.243 3.987 ( -1.600 -0.009 0.000) 1.600 4.015 ( -9.143 0.178 0.000) 9.145 4.213 ( 2.037 -0.381 0.000) 2.072 5.190 ( 1.560 1.068 0.000) 1.890 5.216 ( 2.218 0.477 0.000) 2.269 5.564 ( 1.327 -0.343 0.000) 1.371 5.684 ( 4.553 0.219 0.000) 4.558 6.120 ( -10.555 0.557 0.000) 10.569 6.211 ( 1.907 1.011 0.000) 2.158 6.249 ( -5.143 -0.291 0.000) 5.152 6.257 ( 1.719 -0.854 0.000) 1.919 6.429 ( 2.064 0.249 0.000) 2.079 6.481 ( 12.045 -0.411 0.000) 12.052 7.184 ( -1.827 -0.557 0.000) 1.910 7.253 ( 0.249 -0.294 0.000) 0.386 8.020 ( -1.624 -0.340 0.000) 1.659 8.092 ( 1.659 0.156 0.000) 1.666 ======================= Grid point 49 (36/228) ======================= q-point: (-0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -16.481 -2.820 0.000) 16.720 2.015 ( 0.247 -0.525 0.000) 0.581 2.204 ( -15.326 0.105 0.000) 15.326 2.735 ( 8.026 -0.074 0.000) 8.026 3.118 ( 0.714 -0.226 0.000) 0.749 3.395 ( -20.865 -0.665 0.000) 20.876 3.829 ( -5.856 0.675 0.000) 5.894 3.850 ( -1.895 -0.025 0.000) 1.895 3.871 ( -10.816 -0.140 0.000) 10.817 4.233 ( 0.567 -0.611 0.000) 0.834 5.197 ( 0.163 1.735 0.000) 1.743 5.268 ( 3.913 1.452 0.000) 4.174 5.617 ( 3.003 -0.490 0.000) 3.043 5.769 ( 4.164 0.271 0.000) 4.173 5.921 ( -9.886 0.220 0.000) 9.888 6.171 ( -2.428 -0.537 0.000) 2.487 6.242 ( 1.564 0.446 0.000) 1.626 6.321 ( 4.606 0.199 0.000) 4.611 6.447 ( 0.200 0.367 0.000) 0.418 6.696 ( 9.760 -0.206 0.000) 9.763 7.175 ( 0.774 -0.937 0.000) 1.215 7.268 ( 1.146 -0.956 0.000) 1.492 7.973 ( -3.970 -1.156 0.000) 4.135 8.127 ( 2.081 0.165 0.000) 2.088 ======================= Grid point 50 (37/228) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -12.986 -2.560 0.000) 13.236 1.851 ( -20.981 0.258 0.000) 20.982 2.001 ( -1.974 -0.754 0.000) 2.113 2.896 ( 8.589 -0.238 0.000) 8.592 2.942 ( -27.283 -0.607 0.000) 27.289 3.214 ( 8.501 0.087 0.000) 8.502 3.588 ( -18.707 -0.273 0.000) 18.709 3.671 ( -7.804 -0.174 0.000) 7.805 3.785 ( -6.502 0.414 0.000) 6.515 4.250 ( 0.242 -0.669 0.000) 0.711 5.189 ( 0.467 1.867 0.000) 1.924 5.343 ( 4.609 1.329 0.000) 4.797 5.642 ( -1.043 -0.215 0.000) 1.064 5.750 ( -8.018 -0.066 0.000) 8.018 5.823 ( 1.411 0.226 0.000) 1.429 6.197 ( 4.901 -0.983 0.000) 4.999 6.256 ( 0.006 -0.395 0.000) 0.395 6.408 ( 4.180 1.440 0.000) 4.421 6.442 ( -0.199 0.468 0.000) 0.509 6.825 ( 2.581 -1.393 0.000) 2.933 7.239 ( 5.903 0.150 0.000) 5.905 7.317 ( 3.508 -1.770 0.000) 3.929 7.882 ( -6.562 -2.835 0.000) 7.148 8.165 ( 1.972 0.180 0.000) 1.981 ======================= Grid point 51 (38/228) ======================= q-point: (-0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -9.376 0.508 0.000) 9.390 1.429 ( -22.984 0.647 0.000) 22.993 1.957 ( -2.893 -0.767 0.000) 2.993 2.372 ( -32.980 0.117 0.000) 32.980 3.047 ( 6.607 -0.455 0.000) 6.622 3.189 ( -22.846 -0.387 0.000) 22.849 3.406 ( 10.817 0.582 0.000) 10.833 3.548 ( -4.881 -0.662 0.000) 4.925 3.641 ( -7.330 0.107 0.000) 7.331 4.230 ( -2.920 -0.638 0.000) 2.988 5.203 ( 1.968 0.851 0.000) 2.144 5.414 ( 2.848 0.304 0.000) 2.864 5.598 ( -2.772 0.174 0.000) 2.778 5.617 ( -6.023 0.109 0.000) 6.024 5.810 ( -2.836 0.127 0.000) 2.839 6.248 ( -1.155 -0.453 0.000) 1.241 6.338 ( 8.095 -1.074 0.000) 8.166 6.438 ( -0.489 0.906 0.000) 1.030 6.448 ( 1.522 0.283 0.000) 1.548 6.782 ( -9.797 -6.193 0.000) 11.590 7.372 ( 7.203 1.625 0.000) 7.384 7.445 ( 9.939 -0.614 0.000) 9.958 7.781 ( -5.477 -4.296 0.000) 6.961 8.199 ( 1.759 0.273 0.000) 1.780 ======================= Grid point 52 (39/228) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -6.767 4.924 0.000) 8.369 0.983 ( -23.276 1.306 0.000) 23.312 1.685 ( -37.222 1.135 0.000) 37.239 1.920 ( -2.824 -0.319 0.000) 2.842 2.757 ( -22.081 -0.305 0.000) 22.083 3.125 ( 0.835 -0.517 0.000) 0.982 3.446 ( -2.923 -0.451 0.000) 2.957 3.544 ( -2.177 -0.287 0.000) 2.196 3.647 ( 11.085 0.268 0.000) 11.088 4.151 ( -5.297 -0.494 0.000) 5.320 5.255 ( 3.239 -0.808 0.000) 3.339 5.409 ( -4.616 -1.329 0.000) 4.803 5.536 ( -2.546 -0.938 0.000) 2.714 5.553 ( -1.651 0.417 0.000) 1.703 5.724 ( -5.682 0.080 0.000) 5.682 6.215 ( -3.200 -1.413 0.000) 3.498 6.385 ( -4.374 0.293 0.000) 4.384 6.442 ( 2.545 0.686 0.000) 2.636 6.529 ( -21.506 -11.830 0.000) 24.545 6.537 ( 6.963 -1.652 0.000) 7.156 7.480 ( 5.160 1.757 0.000) 5.451 7.643 ( 7.713 1.913 0.000) 7.947 7.765 ( 3.735 -3.888 0.000) 5.391 8.230 ( 1.716 0.473 0.000) 1.780 ======================= Grid point 53 (40/228) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -3.921 8.722 0.000) 9.563 0.543 ( -21.397 2.641 0.000) 21.559 0.942 ( -38.406 3.089 0.000) 38.530 1.888 ( -0.927 0.016 0.000) 0.927 2.399 ( -14.571 0.030 0.000) 14.571 3.102 ( -2.338 -0.390 0.000) 2.371 3.411 ( -1.305 -1.050 0.000) 1.675 3.551 ( 1.595 -0.677 0.000) 1.732 3.830 ( 7.591 0.661 0.000) 7.619 4.056 ( -4.416 -0.212 0.000) 4.421 5.224 ( -20.146 -6.994 0.000) 21.325 5.305 ( -0.804 -1.781 0.000) 1.954 5.505 ( -0.769 -3.386 0.000) 3.473 5.530 ( -0.559 0.527 0.000) 0.769 5.618 ( -4.735 0.047 0.000) 4.735 6.070 ( -16.769 -8.503 0.000) 18.802 6.242 ( -5.806 0.186 0.000) 5.809 6.297 ( -4.625 0.801 0.000) 4.694 6.472 ( 1.269 0.844 0.000) 1.524 6.662 ( 4.438 -1.925 0.000) 4.838 7.542 ( 2.481 1.891 0.000) 3.119 7.692 ( 1.022 0.493 0.000) 1.135 7.938 ( 8.747 -0.957 0.000) 8.799 8.260 ( 1.799 0.729 0.000) 1.941 ======================= Grid point 54 (41/228) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( -0.000 5.897 0.000) 5.897 0.323 ( -0.000 7.916 0.000) 7.916 0.420 ( -0.000 10.351 0.000) 10.351 1.881 ( -0.000 0.220 0.000) 0.220 2.252 ( -0.000 0.247 0.000) 0.247 3.077 ( 0.000 -0.361 0.000) 0.361 3.406 ( 0.000 -1.206 0.000) 1.206 3.576 ( 0.000 -0.814 0.000) 0.814 3.902 ( -0.000 0.761 0.000) 0.761 4.010 ( 0.000 -0.034 0.000) 0.034 4.851 ( -0.000 0.332 0.000) 0.332 5.294 ( 0.000 -0.975 0.000) 0.975 5.522 ( -0.000 0.540 0.000) 0.540 5.546 ( 0.000 -4.555 0.000) 4.555 5.569 ( -0.000 0.023 0.000) 0.023 5.913 ( 0.000 -0.708 0.000) 0.708 6.200 ( -0.000 0.824 0.000) 0.824 6.237 ( -0.000 2.516 0.000) 2.516 6.480 ( -0.000 0.778 0.000) 0.778 6.716 ( 0.000 -1.873 0.000) 1.873 7.554 ( -0.000 1.823 0.000) 1.823 7.698 ( -0.000 0.678 0.000) 0.678 8.035 ( 0.000 -1.382 0.000) 1.382 8.278 ( -0.000 0.719 0.000) 0.719 ======================= Grid point 61 (42/228) ======================= q-point: (-0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -16.822 0.000 0.000) 16.822 1.977 ( 3.554 -0.000 0.000) 3.554 2.411 ( -6.754 0.000 0.000) 6.754 2.599 ( 6.101 -0.000 0.000) 6.101 3.206 ( -10.018 0.000 0.000) 10.018 3.720 ( -14.027 0.000 0.000) 14.027 3.730 ( 10.263 -0.000 0.000) 10.263 3.987 ( -1.632 0.000 0.000) 1.632 4.016 ( -9.197 0.000 0.000) 9.197 4.211 ( 2.017 -0.000 0.000) 2.017 5.196 ( 1.458 -0.000 0.000) 1.458 5.219 ( 2.686 -0.000 0.000) 2.686 5.562 ( 1.299 -0.000 0.000) 1.299 5.685 ( 4.545 -0.000 0.000) 4.545 6.123 ( -10.706 0.000 0.000) 10.706 6.217 ( 2.175 -0.000 0.000) 2.175 6.247 ( -5.154 0.000 0.000) 5.154 6.252 ( 1.537 -0.000 0.000) 1.537 6.430 ( 2.065 -0.000 0.000) 2.065 6.478 ( 12.195 -0.000 0.000) 12.195 7.181 ( -1.953 0.000 0.000) 1.953 7.251 ( 0.154 -0.000 0.000) 0.154 8.018 ( -1.708 0.000 0.000) 1.708 8.093 ( 1.644 -0.000 0.000) 1.644 ======================= Grid point 63 (43/228) ======================= q-point: (-0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -16.566 -1.035 0.000) 16.598 2.011 ( 0.170 -0.191 0.000) 0.255 2.205 ( -15.314 0.038 0.000) 15.314 2.734 ( 7.987 -0.027 0.000) 7.988 3.116 ( 0.840 -0.079 0.000) 0.843 3.390 ( -20.873 -0.233 0.000) 20.874 3.835 ( -8.658 0.328 0.000) 8.665 3.849 ( 0.764 -0.096 0.000) 0.770 3.870 ( -10.860 -0.053 0.000) 10.860 4.228 ( 0.569 -0.219 0.000) 0.610 5.210 ( 0.262 0.612 0.000) 0.666 5.279 ( 3.855 0.518 0.000) 3.890 5.613 ( 3.076 -0.173 0.000) 3.081 5.771 ( 4.144 0.099 0.000) 4.145 5.923 ( -10.093 0.082 0.000) 10.094 6.167 ( -2.515 -0.192 0.000) 2.522 6.244 ( 0.892 0.071 0.000) 0.895 6.324 ( 5.485 0.178 0.000) 5.488 6.450 ( 0.202 0.128 0.000) 0.239 6.694 ( 9.737 -0.087 0.000) 9.738 7.168 ( 0.873 -0.377 0.000) 0.951 7.260 ( 0.936 -0.322 0.000) 0.990 7.964 ( -4.329 -0.387 0.000) 4.346 8.129 ( 2.061 0.058 0.000) 2.062 ======================= Grid point 64 (44/228) ======================= q-point: (-0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -11.887 -1.426 0.000) 11.972 1.854 ( -20.873 0.144 0.000) 20.874 1.994 ( -1.980 -0.433 0.000) 2.026 2.894 ( 8.508 -0.135 0.000) 8.509 2.937 ( -27.066 -0.344 0.000) 27.068 3.215 ( 8.671 0.049 0.000) 8.672 3.585 ( -18.755 -0.162 0.000) 18.756 3.670 ( -7.971 -0.073 0.000) 7.972 3.788 ( -6.645 0.206 0.000) 6.649 4.243 ( 0.304 -0.370 0.000) 0.479 5.206 ( 0.089 1.064 0.000) 1.068 5.354 ( 4.170 0.659 0.000) 4.222 5.640 ( -0.818 -0.119 0.000) 0.827 5.749 ( -8.122 -0.106 0.000) 8.123 5.826 ( 1.342 0.133 0.000) 1.349 6.188 ( 4.798 -0.533 0.000) 4.828 6.253 ( -0.003 -0.191 0.000) 0.191 6.421 ( 4.055 0.794 0.000) 4.132 6.446 ( -0.226 0.241 0.000) 0.330 6.813 ( 1.513 -0.679 0.000) 1.659 7.238 ( 6.773 -0.195 0.000) 6.776 7.302 ( 3.435 -0.827 0.000) 3.533 7.858 ( -7.056 -1.388 0.000) 7.191 8.167 ( 1.978 0.098 0.000) 1.981 ======================= Grid point 65 (45/228) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -7.031 0.643 0.000) 7.060 1.435 ( -22.754 0.450 0.000) 22.758 1.950 ( -2.805 -0.554 0.000) 2.859 2.372 ( -32.508 -0.005 0.000) 32.508 3.042 ( 6.531 -0.317 0.000) 6.539 3.185 ( -22.859 -0.285 0.000) 22.861 3.412 ( 11.193 0.398 0.000) 11.200 3.542 ( -5.169 -0.387 0.000) 5.183 3.642 ( -7.612 0.006 0.000) 7.612 4.224 ( -2.847 -0.439 0.000) 2.880 5.212 ( 1.197 0.657 0.000) 1.365 5.416 ( 2.000 0.056 0.000) 2.001 5.600 ( -2.613 0.124 0.000) 2.616 5.616 ( -6.126 -0.244 0.000) 6.131 5.811 ( -2.884 0.088 0.000) 2.885 6.244 ( -1.142 -0.156 0.000) 1.153 6.328 ( 8.476 -0.699 0.000) 8.505 6.445 ( -1.198 0.336 0.000) 1.244 6.450 ( 1.079 0.149 0.000) 1.089 6.725 ( -12.326 -3.682 0.000) 12.864 7.387 ( 6.813 0.957 0.000) 6.879 7.438 ( 11.885 -0.497 0.000) 11.895 7.743 ( -5.230 -2.306 0.000) 5.716 8.202 ( 1.825 0.193 0.000) 1.835 ======================= Grid point 66 (46/228) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -4.351 4.449 0.000) 6.223 0.997 ( -22.847 1.039 0.000) 22.871 1.695 ( -36.423 0.607 0.000) 36.428 1.917 ( -2.831 -0.231 0.000) 2.840 2.754 ( -21.948 -0.266 0.000) 21.949 3.120 ( 0.907 -0.417 0.000) 0.998 3.442 ( -3.311 -0.247 0.000) 3.320 3.540 ( -2.514 -0.432 0.000) 2.551 3.651 ( 11.470 0.304 0.000) 11.474 4.146 ( -5.159 -0.397 0.000) 5.175 5.247 ( 2.354 -0.539 0.000) 2.415 5.393 ( -5.971 -1.348 0.000) 6.121 5.523 ( -4.131 -1.236 0.000) 4.312 5.557 ( -1.565 0.341 0.000) 1.602 5.724 ( -5.703 0.060 0.000) 5.704 6.193 ( -6.358 -2.170 0.000) 6.718 6.386 ( -4.491 -0.254 0.000) 4.498 6.433 ( -17.908 -5.133 0.000) 18.629 6.452 ( 3.025 0.938 0.000) 3.167 6.517 ( 6.429 -1.711 0.000) 6.653 7.499 ( 5.362 1.456 0.000) 5.556 7.661 ( 6.348 1.284 0.000) 6.476 7.729 ( 6.430 -2.550 0.000) 6.917 8.235 ( 1.849 0.396 0.000) 1.891 ======================= Grid point 67 (47/228) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -2.573 7.901 0.000) 8.310 0.572 ( -20.267 2.266 0.000) 20.394 0.971 ( -37.204 1.942 0.000) 37.255 1.889 ( -0.688 0.059 0.000) 0.691 2.399 ( -14.355 0.014 0.000) 14.355 3.097 ( -2.285 -0.341 0.000) 2.310 3.400 ( -1.480 -0.809 0.000) 1.687 3.542 ( 1.380 -0.778 0.000) 1.584 3.837 ( 7.713 0.624 0.000) 7.738 4.053 ( -4.244 -0.199 0.000) 4.249 5.155 ( -21.356 -4.825 0.000) 21.894 5.287 ( -0.054 -1.421 0.000) 1.422 5.471 ( -1.335 -2.576 0.000) 2.901 5.536 ( -0.525 0.483 0.000) 0.713 5.618 ( -4.756 0.039 0.000) 4.756 5.999 ( -11.422 -4.217 0.000) 12.175 6.251 ( -3.926 1.100 0.000) 4.077 6.305 ( -3.424 0.498 0.000) 3.460 6.483 ( 1.304 0.997 0.000) 1.642 6.639 ( 4.364 -1.966 0.000) 4.786 7.562 ( 2.311 1.558 0.000) 2.787 7.700 ( 1.516 0.778 0.000) 1.704 7.926 ( 8.504 -1.130 0.000) 8.579 8.268 ( 1.885 0.648 0.000) 1.993 ======================= Grid point 68 (48/228) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( -0.000 4.709 0.000) 4.709 0.405 ( -0.000 6.330 0.000) 6.330 0.528 ( -0.000 8.322 0.000) 8.322 1.883 ( -0.000 0.221 0.000) 0.221 2.255 ( -0.000 0.246 0.000) 0.246 3.073 ( 0.000 -0.339 0.000) 0.339 3.392 ( 0.000 -1.083 0.000) 1.083 3.566 ( 0.000 -0.953 0.000) 0.953 3.911 ( -0.000 0.755 0.000) 0.755 4.009 ( 0.000 -0.034 0.000) 0.034 4.855 ( -0.000 0.360 0.000) 0.360 5.282 ( 0.000 -1.010 0.000) 1.010 5.495 ( 0.000 -4.112 0.000) 4.112 5.529 ( -0.000 0.545 0.000) 0.545 5.569 ( -0.000 0.023 0.000) 0.023 5.905 ( 0.000 -0.649 0.000) 0.649 6.210 ( -0.000 0.771 0.000) 0.771 6.263 ( -0.000 2.024 0.000) 2.024 6.490 ( -0.000 0.960 0.000) 0.960 6.693 ( 0.000 -2.046 0.000) 2.046 7.574 ( -0.000 1.572 0.000) 1.572 7.709 ( -0.000 1.236 0.000) 1.236 8.018 ( 0.000 -1.621 0.000) 1.621 8.286 ( -0.000 0.693 0.000) 0.693 ======================= Grid point 77 (49/228) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -11.461 0.000 0.000) 11.461 1.854 ( -20.834 0.000 0.000) 20.834 1.991 ( -1.983 0.000 0.000) 1.983 2.893 ( 8.479 -0.000 0.000) 8.479 2.935 ( -26.995 0.000 0.000) 26.995 3.215 ( 8.731 -0.000 0.000) 8.731 3.584 ( -18.772 0.000 0.000) 18.772 3.669 ( -8.029 0.000 0.000) 8.029 3.789 ( -6.698 0.000 0.000) 6.698 4.241 ( 0.327 -0.000 0.000) 0.327 5.213 ( -0.038 0.000 0.000) 0.038 5.358 ( 4.000 -0.000 0.000) 4.000 5.639 ( -0.738 0.000 0.000) 0.738 5.749 ( -8.180 0.000 0.000) 8.180 5.826 ( 1.316 -0.000 0.000) 1.316 6.185 ( 4.765 -0.000 0.000) 4.765 6.252 ( 0.026 -0.000 0.000) 0.026 6.426 ( 3.960 -0.000 0.000) 3.960 6.447 ( -0.238 0.000 0.000) 0.238 6.809 ( 1.166 -0.000 0.000) 1.166 7.236 ( 7.036 -0.000 0.000) 7.036 7.297 ( 3.454 -0.000 0.000) 3.454 7.850 ( -7.200 0.000 0.000) 7.200 8.167 ( 1.981 -0.000 0.000) 1.981 ======================= Grid point 79 (50/228) ======================= q-point: (-0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -5.646 0.294 0.000) 5.653 1.439 ( -22.627 0.161 0.000) 22.628 1.945 ( -2.749 -0.203 0.000) 2.756 2.372 ( -32.279 -0.021 0.000) 32.279 3.040 ( 6.491 -0.114 0.000) 6.492 3.183 ( -22.865 -0.105 0.000) 22.865 3.415 ( 11.413 0.140 0.000) 11.414 3.539 ( -5.332 -0.124 0.000) 5.333 3.641 ( -7.778 -0.010 0.000) 7.778 4.220 ( -2.806 -0.156 0.000) 2.811 5.217 ( 0.780 0.258 0.000) 0.821 5.416 ( 1.538 -0.023 0.000) 1.538 5.601 ( -2.523 0.045 0.000) 2.524 5.613 ( -6.258 -0.153 0.000) 6.260 5.811 ( -2.914 0.031 0.000) 2.914 6.243 ( -1.164 -0.020 0.000) 1.164 6.323 ( 8.670 -0.243 0.000) 8.673 6.447 ( -1.677 0.046 0.000) 1.677 6.451 ( 0.852 0.046 0.000) 0.853 6.697 ( -13.386 -1.178 0.000) 13.438 7.394 ( 6.554 0.316 0.000) 6.562 7.434 ( 12.983 -0.189 0.000) 12.985 7.726 ( -5.043 -0.711 0.000) 5.093 8.203 ( 1.865 0.070 0.000) 1.866 ======================= Grid point 80 (51/228) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -2.762 2.667 0.000) 3.840 1.006 ( -22.561 0.573 0.000) 22.568 1.700 ( -35.965 0.205 0.000) 35.966 1.915 ( -2.829 -0.121 0.000) 2.832 2.751 ( -21.852 -0.154 0.000) 21.853 3.116 ( 0.956 -0.233 0.000) 0.984 3.440 ( -3.535 -0.093 0.000) 3.536 3.536 ( -2.725 -0.308 0.000) 2.743 3.654 ( 11.672 0.194 0.000) 11.674 4.143 ( -5.067 -0.220 0.000) 5.072 5.242 ( 1.785 -0.219 0.000) 1.798 5.380 ( -7.154 -0.926 0.000) 7.214 5.511 ( -4.882 -0.841 0.000) 4.954 5.561 ( -1.506 0.192 0.000) 1.518 5.725 ( -5.719 0.031 0.000) 5.719 6.170 ( -9.418 -1.559 0.000) 9.546 6.379 ( -5.161 -0.695 0.000) 5.207 6.401 ( -13.122 -1.050 0.000) 13.164 6.464 ( 3.373 1.183 0.000) 3.575 6.498 ( 6.045 -1.612 0.000) 6.256 7.512 ( 5.495 0.849 0.000) 5.560 7.673 ( 4.031 0.862 0.000) 4.122 7.705 ( 9.441 -1.510 0.000) 9.561 8.238 ( 1.942 0.226 0.000) 1.955 ======================= Grid point 81 (52/228) ======================= q-point: (-0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -19.473 1.514 0.000) 19.532 0.631 ( -1.572 5.699 0.000) 5.912 0.986 ( -36.735 0.762 0.000) 36.743 1.889 ( -0.521 0.059 0.000) 0.525 2.399 ( -14.171 0.005 0.000) 14.171 3.094 ( -2.233 -0.231 0.000) 2.245 3.393 ( -1.648 -0.489 0.000) 1.719 3.534 ( 1.250 -0.622 0.000) 1.396 3.843 ( 7.790 0.445 0.000) 7.803 4.051 ( -4.108 -0.143 0.000) 4.110 5.113 ( -20.353 -2.656 0.000) 20.525 5.273 ( 0.232 -0.963 0.000) 0.990 5.447 ( -1.889 -1.655 0.000) 2.511 5.541 ( -0.498 0.338 0.000) 0.602 5.619 ( -4.771 0.024 0.000) 4.771 5.965 ( -8.394 -1.949 0.000) 8.617 6.264 ( -4.021 1.001 0.000) 4.143 6.308 ( -2.372 0.109 0.000) 2.375 6.495 ( 1.275 0.939 0.000) 1.584 6.618 ( 4.363 -1.606 0.000) 4.649 7.577 ( 2.023 0.933 0.000) 2.227 7.710 ( 2.241 0.877 0.000) 2.406 7.913 ( 8.116 -0.983 0.000) 8.175 8.274 ( 1.927 0.445 0.000) 1.977 ======================= Grid point 82 (53/228) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( -0.000 3.281 0.000) 3.281 0.467 ( -0.000 4.416 0.000) 4.416 0.610 ( -0.000 5.839 0.000) 5.839 1.886 ( -0.000 0.176 0.000) 0.176 2.257 ( -0.000 0.197 0.000) 0.197 3.070 ( 0.000 -0.255 0.000) 0.255 3.382 ( 0.000 -0.789 0.000) 0.789 3.555 ( 0.000 -0.854 0.000) 0.854 3.918 ( -0.000 0.598 0.000) 0.598 4.009 ( 0.000 -0.027 0.000) 0.027 4.859 ( -0.000 0.312 0.000) 0.312 5.272 ( 0.000 -0.838 0.000) 0.838 5.453 ( 0.000 -3.059 0.000) 3.059 5.535 ( -0.000 0.441 0.000) 0.441 5.569 ( -0.000 0.018 0.000) 0.018 5.898 ( 0.000 -0.484 0.000) 0.484 6.218 ( -0.000 0.586 0.000) 0.586 6.282 ( -0.000 1.351 0.000) 1.351 6.502 ( -0.000 0.986 0.000) 0.986 6.670 ( 0.000 -1.850 0.000) 1.850 7.589 ( -0.000 0.986 0.000) 0.986 7.726 ( -0.000 1.581 0.000) 1.581 7.999 ( 0.000 -1.568 0.000) 1.568 8.294 ( -0.000 0.535 0.000) 0.535 ======================= Grid point 93 (54/228) ======================= q-point: (-0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -2.211 0.000 0.000) 2.211 1.010 ( -22.460 0.000 0.000) 22.460 1.701 ( -35.824 0.000 0.000) 35.824 1.914 ( -2.826 0.000 0.000) 2.826 2.750 ( -21.817 0.000 0.000) 21.817 3.115 ( 0.974 -0.000 0.000) 0.974 3.440 ( -3.606 0.000 0.000) 3.606 3.534 ( -2.799 0.000 0.000) 2.799 3.655 ( 11.735 -0.000 0.000) 11.735 4.141 ( -5.035 0.000 0.000) 5.035 5.241 ( 1.597 -0.000 0.000) 1.597 5.374 ( -7.624 0.000 0.000) 7.624 5.506 ( -5.071 0.000 0.000) 5.071 5.562 ( -1.485 0.000 0.000) 1.485 5.725 ( -5.724 0.000 0.000) 5.724 6.161 ( -10.423 0.000 0.000) 10.423 6.375 ( -5.276 0.000 0.000) 5.276 6.396 ( -11.537 0.000 0.000) 11.537 6.476 ( 1.601 -0.000 0.000) 1.601 6.483 ( 7.805 -0.000 0.000) 7.805 7.517 ( 5.530 -0.000 0.000) 5.530 7.680 ( 0.276 -0.000 0.000) 0.276 7.695 ( 13.420 -0.000 0.000) 13.420 8.240 ( 1.976 -0.000 0.000) 1.976 ======================= Grid point 95 (55/228) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -19.068 0.530 0.000) 19.076 0.678 ( -0.807 2.129 0.000) 2.277 0.991 ( -36.842 0.117 0.000) 36.842 1.890 ( -0.437 0.024 0.000) 0.438 2.399 ( -14.066 0.001 0.000) 14.066 3.092 ( -2.201 -0.081 0.000) 2.203 3.389 ( -1.752 -0.161 0.000) 1.760 3.529 ( 1.192 -0.238 0.000) 1.215 3.847 ( 7.827 0.161 0.000) 7.828 4.050 ( -4.033 -0.052 0.000) 4.033 5.093 ( -19.512 -0.838 0.000) 19.530 5.265 ( 0.346 -0.342 0.000) 0.486 5.434 ( -2.198 -0.575 0.000) 2.272 5.544 ( -0.484 0.122 0.000) 0.499 5.619 ( -4.779 0.008 0.000) 4.779 5.951 ( -7.183 -0.571 0.000) 7.205 6.272 ( -4.560 0.428 0.000) 4.581 6.308 ( -1.480 -0.041 0.000) 1.480 6.503 ( 1.187 0.430 0.000) 1.263 6.604 ( 4.434 -0.667 0.000) 4.484 7.584 ( 1.809 0.295 0.000) 1.833 7.717 ( 2.759 0.407 0.000) 2.789 7.905 ( 7.838 -0.407 0.000) 7.848 8.278 ( 1.941 0.158 0.000) 1.947 ======================= Grid point 96 (56/228) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -0.000 1.684 0.000) 1.684 0.506 ( -0.000 2.269 0.000) 2.269 0.661 ( -0.000 3.013 0.000) 3.013 1.887 ( -0.000 0.097 0.000) 0.097 2.259 ( -0.000 0.109 0.000) 0.109 3.068 ( 0.000 -0.135 0.000) 0.135 3.375 ( 0.000 -0.408 0.000) 0.408 3.547 ( 0.000 -0.506 0.000) 0.506 3.924 ( -0.000 0.328 0.000) 0.328 4.009 ( 0.000 -0.015 0.000) 0.015 4.862 ( -0.000 0.182 0.000) 0.182 5.264 ( 0.000 -0.476 0.000) 0.476 5.426 ( 0.000 -1.622 0.000) 1.622 5.539 ( -0.000 0.246 0.000) 0.246 5.569 ( -0.000 0.010 0.000) 0.010 5.894 ( 0.000 -0.256 0.000) 0.256 6.223 ( -0.000 0.314 0.000) 0.314 6.294 ( -0.000 0.662 0.000) 0.662 6.512 ( -0.000 0.690 0.000) 0.690 6.652 ( 0.000 -1.168 0.000) 1.168 7.597 ( -0.000 0.430 0.000) 0.430 7.743 ( -0.000 1.176 0.000) 1.176 7.984 ( 0.000 -1.034 0.000) 1.034 8.298 ( -0.000 0.289 0.000) 0.289 ======================= Grid point 110 (57/228) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -0.000 0.000 0.000) 0.000 0.519 ( -0.000 0.000 0.000) 0.000 0.678 ( -0.000 0.000 0.000) 0.000 1.888 ( -0.000 0.000 0.000) 0.000 2.260 ( -0.000 0.000 0.000) 0.000 3.067 ( -0.000 0.000 0.000) 0.000 3.372 ( -0.000 0.000 0.000) 0.000 3.544 ( -0.000 0.000 0.000) 0.000 3.926 ( -0.000 0.000 0.000) 0.000 4.009 ( -0.000 0.000 0.000) 0.000 4.863 ( -0.000 0.000 0.000) 0.000 5.261 ( -0.000 0.000 0.000) 0.000 5.417 ( -0.000 0.000 0.000) 0.000 5.540 ( -0.000 0.000 0.000) 0.000 5.569 ( -0.000 0.000 0.000) 0.000 5.892 ( -0.000 0.000 0.000) 0.000 6.225 ( -0.000 0.000 0.000) 0.000 6.298 ( -0.000 0.000 0.000) 0.000 6.516 ( -0.000 0.000 0.000) 0.000 6.645 ( -0.000 0.000 0.000) 0.000 7.600 ( -0.000 0.000 0.000) 0.000 7.750 ( -0.000 0.000 0.000) 0.000 7.977 ( -0.000 0.000 0.000) 0.000 8.300 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/228) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.167 ( 0.000 0.000 12.296) 12.296 0.493 ( 0.000 0.000 24.622) 24.622 0.849 ( 0.000 0.000 41.062) 41.062 1.725 ( 0.000 0.000 -13.518) 13.518 2.132 ( 0.000 0.000 -11.074) 11.074 3.072 ( 0.000 0.000 -3.548) 3.548 3.578 ( 0.000 0.000 10.314) 10.314 3.603 ( 0.000 0.000 2.591) 2.591 4.079 ( 0.000 0.000 6.464) 6.464 4.784 ( 0.000 0.000 -5.738) 5.738 4.911 ( 0.000 0.000 -4.320) 4.320 5.267 ( 0.000 0.000 -12.551) 12.551 5.341 ( 0.000 0.000 2.678) 2.678 5.576 ( 0.000 0.000 0.313) 0.313 5.749 ( 0.000 0.000 11.604) 11.604 5.939 ( 0.000 0.000 1.235) 1.235 6.166 ( 0.000 0.000 -1.608) 1.608 6.198 ( 0.000 0.000 2.197) 2.197 6.759 ( 0.000 0.000 0.630) 0.630 7.393 ( 0.000 0.000 0.483) 0.483 7.406 ( 0.000 0.000 -16.037) 16.037 7.504 ( 0.000 0.000 -1.064) 1.064 7.947 ( 0.000 0.000 10.110) 10.110 8.245 ( 0.000 0.000 -0.097) 0.097 ======================= Grid point 206 (59/228) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 10.823 -1.832 9.057) 14.231 0.674 ( 16.155 -0.635 18.045) 24.228 1.187 ( 30.016 -0.603 28.037) 41.077 1.745 ( 2.123 0.048 -12.962) 13.135 2.274 ( 14.004 -0.062 -11.702) 18.250 3.084 ( 1.157 0.087 -4.410) 4.560 3.578 ( 0.411 0.723 10.289) 10.323 3.599 ( -0.079 -0.327 4.548) 4.561 4.094 ( -23.502 0.998 17.327) 29.216 4.124 ( 4.155 -0.031 6.126) 7.402 5.197 ( -5.508 0.465 -12.646) 13.801 5.349 ( 7.978 4.647 -14.685) 17.346 5.396 ( 4.744 -2.012 -2.138) 5.579 5.673 ( 2.051 0.860 0.189) 2.232 5.738 ( -1.226 -0.664 12.037) 12.118 6.052 ( 8.220 0.038 -10.704) 13.496 6.217 ( 4.025 -0.158 -3.629) 5.421 6.262 ( 4.481 -0.085 -1.652) 4.777 6.733 ( -2.345 0.549 2.532) 3.494 7.301 ( 2.254 19.031 1.954) 19.264 7.479 ( -2.045 -0.801 -2.489) 3.320 7.637 ( 9.612 -5.038 -14.800) 18.353 7.844 ( -8.974 -1.830 9.698) 13.339 8.233 ( -1.259 -0.191 -0.468) 1.356 ======================= Grid point 207 (60/228) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 13.897 -1.426 7.747) 15.974 1.036 ( 20.754 -0.597 9.913) 23.007 1.787 ( 10.300 0.221 -7.153) 12.542 1.843 ( 28.591 -0.605 12.255) 31.112 2.596 ( 17.457 -0.084 -15.017) 23.028 3.114 ( 2.814 0.299 -3.560) 4.547 3.593 ( 1.990 1.116 9.686) 9.951 3.623 ( 2.506 -0.636 7.275) 7.721 3.756 ( -14.437 0.066 10.350) 17.764 4.219 ( 5.051 0.159 5.037) 7.135 5.086 ( -5.321 0.146 -13.111) 14.151 5.416 ( 1.703 2.971 -8.773) 9.418 5.493 ( 4.367 -1.732 0.263) 4.705 5.667 ( -0.132 -0.136 -2.957) 2.963 5.728 ( -0.018 -0.576 12.145) 12.158 6.174 ( 5.326 0.561 -6.609) 8.506 6.267 ( 0.266 -0.565 -7.329) 7.355 6.310 ( 0.696 -0.421 -4.704) 4.773 6.674 ( -3.329 0.750 7.383) 8.133 7.237 ( -0.337 9.269 4.332) 10.237 7.423 ( -4.478 -1.262 -0.625) 4.694 7.639 ( -9.419 -1.216 10.637) 14.260 7.823 ( 6.609 4.043 -13.589) 15.642 8.203 ( -1.956 -0.147 -1.407) 2.414 ======================= Grid point 208 (61/228) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 15.416 0.213 6.706) 16.813 1.444 ( 21.597 -0.425 4.590) 22.084 1.872 ( 4.184 0.427 -10.124) 10.962 2.482 ( 32.347 -0.049 10.987) 34.162 2.808 ( 2.804 -0.142 -18.258) 18.473 3.262 ( 14.245 0.472 0.211) 14.254 3.500 ( -11.700 -0.237 9.822) 15.278 3.655 ( 4.107 0.819 7.161) 8.295 3.706 ( 5.769 -0.452 6.378) 8.612 4.289 ( 2.080 0.330 3.194) 3.826 5.010 ( -2.653 -0.470 -11.688) 11.995 5.369 ( -4.675 0.270 -3.915) 6.104 5.592 ( 4.569 -0.387 0.777) 4.650 5.681 ( 0.530 0.000 -9.495) 9.510 5.744 ( 1.531 -1.212 9.874) 10.065 6.217 ( -1.817 0.861 -5.550) 5.903 6.274 ( 2.040 -0.270 -2.787) 3.465 6.320 ( 1.104 -0.620 -6.257) 6.383 6.594 ( -5.012 -0.091 10.983) 12.073 7.180 ( -1.777 5.416 7.446) 9.377 7.325 ( -6.493 -2.566 3.231) 7.694 7.481 ( -6.836 0.298 4.810) 8.364 7.903 ( 4.758 5.539 -10.129) 12.487 8.164 ( -2.266 -0.133 -2.693) 3.522 ======================= Grid point 209 (62/228) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 15.725 2.183 5.267) 16.727 1.844 ( 19.911 -0.181 0.857) 19.931 1.941 ( 3.356 0.689 -7.860) 8.574 2.767 ( -4.787 0.047 -12.445) 13.334 3.041 ( 26.158 0.609 6.810) 27.037 3.310 ( -7.898 -0.025 9.121) 12.065 3.561 ( 14.762 0.255 -3.079) 15.081 3.753 ( 6.509 0.333 6.347) 9.097 3.829 ( 6.390 -0.425 4.781) 7.992 4.291 ( -1.283 0.469 0.744) 1.556 4.989 ( -0.252 -1.425 -9.042) 9.157 5.270 ( -5.520 -1.159 -1.630) 5.871 5.615 ( -2.566 0.295 -3.815) 4.607 5.665 ( -2.383 -0.137 -11.916) 12.153 5.828 ( 6.460 -1.421 6.700) 9.415 6.186 ( 0.212 0.526 -0.837) 1.011 6.283 ( -0.476 0.707 -3.140) 3.254 6.377 ( 3.421 -0.184 -2.599) 4.300 6.491 ( -5.774 -1.294 12.796) 14.098 7.074 ( -7.282 1.758 13.537) 15.472 7.250 ( -1.966 -0.749 3.315) 3.926 7.376 ( -4.065 1.512 -0.010) 4.337 7.945 ( 2.812 4.136 -8.372) 9.752 8.118 ( -2.610 -0.155 -3.977) 4.760 ======================= Grid point 210 (63/228) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 14.815 3.200 3.478) 15.551 1.971 ( 0.518 0.809 -6.307) 6.379 2.189 ( 15.238 -0.004 -0.531) 15.247 2.664 ( -5.501 0.047 -6.990) 8.895 3.216 ( -1.062 0.334 7.981) 8.058 3.464 ( 18.647 0.993 3.368) 18.974 3.744 ( 3.038 -0.365 -4.206) 5.201 3.895 ( 8.277 -0.073 5.298) 9.828 3.936 ( 4.651 -0.082 2.970) 5.519 4.259 ( -1.227 0.611 -0.922) 1.653 5.014 ( 1.737 -2.083 -7.089) 7.590 5.188 ( -3.737 -1.773 -1.135) 4.289 5.528 ( -5.296 0.398 -7.496) 9.187 5.596 ( -4.766 -0.338 -12.332) 13.225 5.973 ( 7.286 -1.267 2.954) 7.964 6.227 ( 4.009 0.652 2.826) 4.948 6.259 ( -1.381 1.254 -2.822) 3.383 6.408 ( -2.268 -1.377 11.913) 12.205 6.433 ( 1.094 -0.266 2.960) 3.167 6.909 ( -9.189 -0.020 16.862) 19.203 7.238 ( 0.182 0.889 2.869) 3.009 7.304 ( -2.569 1.490 -1.349) 3.262 7.965 ( 1.286 2.295 -7.672) 8.111 8.068 ( -2.782 -0.248 -5.114) 5.827 ======================= Grid point 211 (64/228) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 12.391 2.577 1.255) 12.718 1.941 ( -3.525 0.369 -4.058) 5.388 2.403 ( 7.375 -0.035 -0.304) 7.381 2.570 ( -4.221 0.037 -2.865) 5.102 3.280 ( 7.983 0.752 4.786) 9.338 3.682 ( -8.519 -0.871 -1.619) 8.715 3.746 ( 11.943 0.638 0.366) 11.966 3.984 ( -0.203 0.076 -0.286) 0.359 4.052 ( 7.639 -0.242 3.969) 8.612 4.236 ( -1.533 0.628 -0.591) 1.759 5.069 ( 2.491 -1.426 -5.693) 6.376 5.154 ( -0.967 -1.521 -1.964) 2.666 5.442 ( -2.864 0.497 -8.983) 9.441 5.503 ( -4.842 -0.391 -12.013) 12.958 6.094 ( 4.198 -1.399 -1.726) 4.749 6.222 ( -1.663 1.298 -3.091) 3.743 6.314 ( 5.128 0.511 3.676) 6.330 6.416 ( 2.767 -1.119 16.022) 16.298 6.441 ( -0.361 -0.175 4.943) 4.959 6.730 ( -9.638 0.258 18.883) 21.202 7.236 ( 0.109 1.233 1.680) 2.087 7.265 ( -0.911 0.491 -0.624) 1.208 7.972 ( 0.681 1.050 -7.297) 7.403 8.020 ( -2.260 -0.356 -6.090) 6.506 ======================= Grid point 212 (65/228) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 -0.000 -1.072) 1.072 1.843 ( 0.000 -0.000 -1.738) 1.738 2.488 ( 0.000 -0.000 -0.391) 0.391 2.509 ( -0.000 -0.000 -0.510) 0.510 3.454 ( 0.000 -0.000 1.078) 1.078 3.504 ( 0.000 -0.000 0.876) 0.876 3.908 ( -0.000 -0.000 -0.254) 0.254 3.929 ( 0.000 -0.000 -1.497) 1.497 4.173 ( -0.000 0.000 1.220) 1.220 4.174 ( 0.000 -0.000 1.867) 1.867 5.100 ( 0.000 -0.000 -3.790) 3.790 5.155 ( 0.000 -0.000 -3.692) 3.692 5.421 ( 0.000 -0.000 -10.646) 10.646 5.444 ( -0.000 -0.000 -10.790) 10.790 6.146 ( 0.000 -0.000 -2.780) 2.780 6.189 ( 0.000 -0.000 -3.904) 3.904 6.389 ( -0.000 -0.000 2.975) 2.975 6.403 ( 0.000 -0.000 2.925) 2.925 6.534 ( -0.000 -0.000 21.013) 21.013 6.562 ( 0.000 -0.000 19.729) 19.729 7.231 ( 0.000 -0.000 0.489) 0.489 7.257 ( 0.000 -0.000 0.522) 0.522 7.980 ( 0.000 -0.000 -6.892) 6.892 7.994 ( 0.000 -0.000 -6.763) 6.763 ======================= Grid point 221 (66/228) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 14.456 -0.000 7.903) 16.475 1.033 ( 20.878 -0.000 9.924) 23.116 1.788 ( 10.910 -0.000 -6.680) 12.793 1.840 ( 28.185 -0.000 11.879) 30.586 2.595 ( 17.449 -0.000 -15.088) 23.067 3.116 ( 2.848 -0.000 -3.531) 4.537 3.602 ( 1.771 -0.000 10.496) 10.645 3.617 ( 2.586 -0.000 6.597) 7.086 3.756 ( -14.534 0.000 10.320) 17.825 4.220 ( 5.083 -0.000 4.997) 7.128 5.087 ( -5.469 0.000 -13.074) 14.172 5.439 ( -0.259 0.000 -10.983) 10.986 5.478 ( 5.616 -0.000 2.705) 6.233 5.667 ( -0.120 0.000 -3.077) 3.080 5.725 ( -0.104 0.000 12.126) 12.126 6.178 ( 5.569 -0.000 -6.798) 8.788 6.263 ( 0.097 -0.000 -7.058) 7.059 6.308 ( 0.674 -0.000 -4.997) 5.042 6.678 ( -3.511 0.000 7.401) 8.192 7.294 ( -3.534 0.000 1.470) 3.827 7.413 ( -4.820 0.000 -0.002) 4.820 7.632 ( -9.174 0.000 11.885) 15.014 7.849 ( 7.672 -0.000 -14.724) 16.603 8.202 ( -1.925 0.000 -1.378) 2.367 ======================= Grid point 222 (67/228) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 16.229 0.083 6.704) 17.560 1.441 ( 21.742 -0.149 4.605) 22.225 1.875 ( 4.225 0.150 -10.145) 10.990 2.482 ( 32.700 -0.015 11.149) 34.548 2.807 ( 2.816 -0.058 -18.456) 18.670 3.266 ( 14.181 0.167 0.264) 14.185 3.498 ( -11.674 -0.085 9.965) 15.349 3.663 ( 3.778 0.399 7.121) 8.071 3.701 ( 5.892 -0.268 6.358) 8.672 4.292 ( 2.105 0.117 3.082) 3.734 5.006 ( -2.957 -0.181 -11.499) 11.874 5.372 ( -5.560 0.117 -3.579) 6.613 5.588 ( 5.137 -0.196 0.956) 5.229 5.681 ( 0.571 0.025 -9.847) 9.864 5.735 ( 1.337 -0.452 9.757) 9.858 6.225 ( -2.777 0.420 -6.245) 6.848 6.271 ( 3.330 -0.219 -2.207) 4.001 6.315 ( 1.120 -0.220 -6.335) 6.437 6.594 ( -5.535 -0.027 10.994) 12.309 7.234 ( -2.315 3.676 4.375) 6.165 7.293 ( -7.656 -2.690 5.870) 10.016 7.483 ( -6.132 0.060 4.979) 7.899 7.949 ( 3.894 2.236 -10.888) 11.777 8.163 ( -2.248 -0.046 -2.652) 3.477 ======================= Grid point 223 (68/228) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 16.318 1.180 5.122) 17.143 1.843 ( 20.050 -0.097 0.918) 20.071 1.947 ( 3.409 0.371 -7.821) 8.539 2.767 ( -4.820 0.032 -12.571) 13.464 3.047 ( 26.482 0.334 6.825) 27.349 3.310 ( -7.754 -0.012 9.170) 12.009 3.563 ( 14.593 0.131 -3.019) 14.903 3.756 ( 6.248 0.242 6.253) 8.843 3.825 ( 6.450 -0.296 4.957) 8.140 4.296 ( -1.258 0.257 0.543) 1.394 4.976 ( -0.617 -0.825 -8.632) 8.693 5.259 ( -5.899 -0.640 -1.351) 6.085 5.617 ( -2.515 0.139 -3.691) 4.469 5.664 ( -2.509 -0.058 -12.014) 12.273 5.815 ( 6.752 -0.821 6.150) 9.170 6.191 ( 0.199 0.287 -0.806) 0.878 6.289 ( -0.157 0.394 -3.996) 4.018 6.376 ( 3.666 -0.053 -2.201) 4.277 6.480 ( -6.136 -0.730 13.232) 14.604 7.091 ( -9.329 1.063 13.409) 16.369 7.243 ( -0.378 -0.485 3.382) 3.438 7.388 ( -3.969 0.715 0.097) 4.034 7.985 ( 1.562 2.503 -8.709) 9.195 8.117 ( -2.628 -0.086 -3.942) 4.739 ======================= Grid point 224 (69/228) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 14.696 2.116 3.279) 15.206 1.979 ( 0.442 0.545 -6.168) 6.208 2.189 ( 15.256 0.002 -0.418) 15.262 2.664 ( -5.507 0.031 -7.012) 8.916 3.219 ( -0.840 0.235 7.943) 7.990 3.474 ( 18.574 0.713 3.260) 18.871 3.740 ( 2.605 -0.258 -4.068) 4.838 3.894 ( 8.130 -0.069 5.331) 9.722 3.936 ( 4.952 -0.054 3.097) 5.841 4.265 ( -1.214 0.410 -1.166) 1.732 4.993 ( 1.781 -1.487 -6.568) 6.966 5.171 ( -3.732 -1.207 -0.933) 4.032 5.532 ( -5.233 0.299 -7.580) 9.216 5.592 ( -4.833 -0.262 -12.365) 13.279 5.961 ( 7.329 -0.856 2.386) 7.755 6.233 ( 4.004 0.429 2.919) 4.974 6.272 ( -1.175 1.094 -3.906) 4.223 6.393 ( -2.690 -1.186 14.863) 15.151 6.431 ( 1.605 -0.094 1.213) 2.014 6.909 ( -9.438 -0.065 16.709) 19.190 7.246 ( 0.494 0.568 3.043) 3.134 7.319 ( -2.916 0.974 -1.254) 3.320 7.989 ( 0.327 1.734 -7.744) 7.943 8.065 ( -2.839 -0.186 -5.089) 5.830 ======================= Grid point 225 (70/228) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 11.563 1.964 1.081) 11.778 1.945 ( -4.058 0.261 -3.871) 5.614 2.403 ( 7.359 -0.019 -0.214) 7.362 2.571 ( -4.241 0.017 -2.832) 5.100 3.288 ( 8.167 0.637 4.721) 9.455 3.673 ( -8.623 -0.725 -1.501) 8.783 3.753 ( 11.649 0.528 0.126) 11.661 3.985 ( -0.311 0.070 -0.099) 0.334 4.049 ( 7.551 -0.213 4.113) 8.601 4.242 ( -1.587 0.496 -0.790) 1.841 5.055 ( 3.436 -1.057 -5.488) 6.561 5.137 ( -0.622 -1.286 -1.749) 2.259 5.448 ( -2.818 0.475 -9.160) 9.595 5.498 ( -4.866 -0.387 -11.949) 12.908 6.079 ( 4.309 -1.060 -1.761) 4.774 6.236 ( -1.831 1.189 -3.788) 4.372 6.320 ( 4.926 0.429 3.565) 6.096 6.403 ( 3.373 -1.049 18.280) 18.618 6.440 ( -0.686 -0.102 3.449) 3.518 6.732 ( -9.325 0.098 18.805) 20.990 7.249 ( -0.029 0.931 1.903) 2.119 7.270 ( -1.587 0.382 -0.749) 1.796 7.984 ( 0.176 0.948 -7.272) 7.335 8.016 ( -2.301 -0.315 -6.086) 6.514 ======================= Grid point 226 (71/228) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -6.300 -0.423 -1.060) 6.402 1.845 ( 4.293 0.275 -1.744) 4.642 2.489 ( 0.251 0.165 -0.399) 0.500 2.508 ( -0.235 -0.176 -0.505) 0.584 3.454 ( -4.928 0.053 1.090) 5.047 3.504 ( 4.981 -0.045 0.867) 5.056 3.909 ( -1.591 0.138 -0.282) 1.622 3.928 ( 1.180 -0.142 -1.472) 1.892 4.169 ( 4.629 -0.422 1.700) 4.949 4.179 ( -4.900 0.423 1.392) 5.112 5.102 ( 0.917 0.490 -3.790) 3.930 5.153 ( 1.104 -0.440 -3.711) 3.897 5.421 ( -0.951 -0.026 -10.615) 10.658 5.444 ( 0.820 0.037 -10.815) 10.846 6.143 ( 1.814 -0.473 -2.782) 3.354 6.193 ( -1.686 0.521 -3.985) 4.358 6.390 ( -1.065 0.169 3.060) 3.244 6.404 ( 0.976 0.057 2.906) 3.066 6.531 ( 5.331 -0.397 20.886) 21.559 6.563 ( -4.992 0.118 19.875) 20.493 7.231 ( -0.967 -0.042 0.417) 1.054 7.257 ( -0.170 -0.009 0.600) 0.624 7.979 ( -1.064 -0.233 -6.869) 6.955 7.996 ( 0.758 0.289 -6.784) 6.832 ======================= Grid point 227 (72/228) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -13.373 -2.724 1.466) 13.726 1.936 ( 2.968 -0.417 -4.261) 5.209 2.404 ( -7.406 0.048 -0.405) 7.417 2.570 ( 4.219 -0.055 -2.903) 5.122 3.271 ( -7.813 -0.710 4.862) 9.230 3.692 ( 8.436 0.840 -1.755) 8.657 3.739 ( -12.256 -0.616 0.592) 12.285 3.983 ( 0.115 -0.074 -0.482) 0.501 4.054 ( -7.769 0.224 3.834) 8.667 4.228 ( 1.462 -0.640 -0.372) 1.639 5.087 ( -1.702 1.542 -5.986) 6.411 5.171 ( 1.571 1.435 -2.155) 3.028 5.437 ( 2.886 -0.430 -8.742) 9.216 5.507 ( 4.843 0.329 -12.127) 13.062 6.111 ( -4.070 1.493 -1.721) 4.665 6.207 ( 1.651 -1.182 -2.798) 3.458 6.308 ( -5.427 -0.450 3.894) 6.694 6.428 ( -1.991 0.959 13.018) 13.204 6.444 ( -0.196 0.242 7.536) 7.542 6.726 ( 9.997 -0.431 18.936) 21.417 7.221 ( -0.500 -1.308 1.497) 2.050 7.259 ( 0.352 -0.508 -0.519) 0.808 7.961 ( -1.189 -0.936 -7.321) 7.475 8.024 ( 2.212 0.346 -6.097) 6.495 ======================= Grid point 228 (73/228) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -14.959 -3.755 3.765) 15.876 1.961 ( -0.619 -0.929 -6.479) 6.574 2.189 ( -15.211 0.014 -0.666) 15.225 2.663 ( 5.498 -0.055 -6.960) 8.870 3.212 ( 1.325 -0.362 8.022) 8.139 3.452 ( -18.736 -1.059 3.481) 19.086 3.748 ( -3.584 0.390 -4.408) 5.694 3.896 ( -8.442 0.051 5.294) 9.964 3.937 ( -4.297 0.095 2.813) 5.136 4.251 ( 1.246 -0.702 -0.632) 1.564 5.039 ( -1.715 2.219 -7.715) 8.209 5.210 ( 3.735 2.008 -1.404) 4.467 5.523 ( 5.327 -0.413 -7.328) 9.068 5.600 ( 4.711 0.337 -12.362) 13.233 5.989 ( -7.285 1.448 3.724) 8.309 6.218 ( -4.033 -0.780 2.795) 4.969 6.245 ( 1.528 -1.116 -2.362) 3.027 6.422 ( 0.799 1.025 5.942) 6.082 6.438 ( 0.652 0.725 8.223) 8.281 6.909 ( 8.914 -0.096 16.992) 19.188 7.226 ( 0.301 -1.207 2.682) 2.957 7.286 ( 1.969 -1.649 -1.472) 2.961 7.938 ( -2.358 -2.273 -7.594) 8.270 8.071 ( 2.723 0.264 -5.138) 5.821 ======================= Grid point 229 (74/228) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -14.787 -2.803 5.504) 16.025 1.847 ( -19.705 0.236 0.768) 19.722 1.932 ( -3.288 -0.899 -7.909) 8.612 2.766 ( 4.776 -0.039 -12.261) 13.159 3.033 ( -25.751 -0.779 6.777) 26.639 3.310 ( 8.102 0.036 9.059) 12.154 3.558 ( -15.017 -0.355 -3.171) 15.352 3.749 ( -6.775 -0.276 6.492) 9.387 3.834 ( -6.397 0.387 4.520) 7.843 4.285 ( 1.325 -0.594 1.022) 1.776 5.007 ( -0.270 1.687 -9.600) 9.750 5.285 ( 4.957 1.440 -2.045) 5.552 5.610 ( 2.563 -0.458 -3.958) 4.737 5.667 ( 2.278 0.218 -11.823) 12.043 5.846 ( -6.140 1.668 7.535) 9.862 6.179 ( -0.182 -0.680 -0.865) 1.115 6.273 ( 0.780 -0.863 -2.195) 2.484 6.380 ( -3.140 0.358 -3.044) 4.388 6.508 ( 5.394 1.614 12.335) 13.559 7.052 ( 5.048 -1.965 13.752) 14.780 7.259 ( 3.606 0.749 3.302) 4.946 7.354 ( 4.074 -2.290 -0.378) 4.689 7.895 ( -4.258 -4.476 -7.896) 10.025 8.120 ( 2.595 0.196 -4.021) 4.789 ======================= Grid point 230 (75/228) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -13.879 -0.199 6.710) 15.417 1.450 ( -21.332 0.630 4.570) 21.825 1.866 ( -4.097 -0.637 -10.082) 10.901 2.483 ( -31.759 0.068 10.732) 33.523 2.810 ( -2.758 0.157 -17.937) 18.149 3.255 ( -14.372 -0.693 0.114) 14.389 3.503 ( 11.791 0.338 9.564) 15.186 3.645 ( -4.466 -0.810 7.343) 8.633 3.710 ( -5.799 0.288 6.313) 8.577 4.285 ( -2.037 -0.481 3.387) 3.982 5.016 ( 2.109 0.608 -11.991) 12.190 5.366 ( 3.284 -0.290 -4.514) 5.589 5.596 ( -3.852 0.162 0.490) 3.887 5.681 ( -0.450 0.137 -9.192) 9.204 5.761 ( -1.825 1.639 10.374) 10.660 6.207 ( 1.151 -0.821 -4.976) 5.173 6.275 ( -0.914 -0.121 -3.202) 3.332 6.329 ( -0.971 0.919 -6.012) 6.158 6.596 ( 4.041 0.167 10.928) 11.652 7.112 ( -0.921 -6.252 9.790) 11.653 7.351 ( 5.969 1.965 1.643) 6.496 7.475 ( 8.090 -0.804 4.206) 9.153 7.832 ( -5.410 -6.222 -8.737) 12.014 8.166 ( 2.303 0.205 -2.759) 3.600 ======================= Grid point 231 (76/228) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -12.338 2.700 7.341) 14.609 1.046 ( -20.408 1.091 9.886) 22.703 1.784 ( -9.050 -0.377 -8.064) 12.127 1.853 ( -29.285 1.020 12.894) 32.014 2.597 ( -17.480 0.126 -14.816) 22.915 3.109 ( -2.719 -0.553 -3.645) 4.581 3.580 ( -2.231 -1.115 9.388) 9.714 3.628 ( -2.603 0.221 7.232) 7.689 3.755 ( 14.163 -0.019 10.425) 17.586 4.216 ( -4.964 -0.293 5.142) 7.153 5.083 ( 4.924 -0.307 -13.191) 14.083 5.379 ( -3.556 -3.310 -8.786) 10.040 5.509 ( -4.398 0.926 -0.274) 4.503 5.670 ( 0.065 0.251 -2.776) 2.788 5.737 ( -0.186 1.015 12.303) 12.346 6.166 ( -4.945 -0.798 -6.172) 7.949 6.274 ( -0.540 0.573 -7.924) 7.963 6.318 ( -0.736 0.846 -3.899) 4.057 6.661 ( 2.786 -1.402 7.367) 8.000 7.098 ( -6.807 -14.086 9.037) 18.067 7.438 ( 4.146 1.442 -1.035) 4.509 7.656 ( 9.822 1.535 8.345) 12.980 7.771 ( -3.526 -4.479 -11.048) 12.432 8.205 ( 2.037 0.279 -1.484) 2.535 ======================= Grid point 232 (77/228) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -9.390 4.940 7.814) 13.177 0.688 ( -15.575 1.759 17.822) 23.734 1.200 ( -29.666 1.564 27.412) 40.422 1.744 ( -2.070 -0.091 -12.872) 13.037 2.275 ( -13.967 0.161 -11.637) 18.180 3.082 ( -1.068 -0.275 -4.456) 4.591 3.565 ( -0.311 -1.312 9.660) 9.754 3.603 ( -0.159 0.196 5.329) 5.335 4.074 ( 20.725 -2.288 16.872) 26.822 4.124 ( -3.835 -0.043 6.314) 7.388 5.186 ( 3.480 -1.560 -12.844) 13.398 5.280 ( -9.943 -6.829 -13.209) 17.888 5.411 ( -5.426 0.471 -1.961) 5.789 5.658 ( -3.547 -1.384 0.938) 3.922 5.748 ( 2.130 1.027 11.484) 11.725 6.050 ( -8.073 -0.458 -9.241) 12.279 6.220 ( -4.194 0.242 -3.927) 5.751 6.265 ( -4.454 0.433 -0.419) 4.494 6.720 ( 2.204 -1.697 2.414) 3.683 7.019 ( -12.494 -25.162 11.149) 30.224 7.490 ( 2.098 1.237 -1.955) 3.123 7.683 ( -2.364 2.616 -6.516) 7.408 7.870 ( 9.099 2.003 2.699) 9.700 8.237 ( 1.446 0.455 -0.622) 1.639 ======================= Grid point 233 (78/228) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( -0.000 5.492 10.135) 11.527 0.505 ( -0.000 2.133 23.945) 24.040 0.858 ( -0.000 1.506 40.506) 40.534 1.725 ( 0.000 -0.014 -13.502) 13.502 2.132 ( -0.000 0.150 -11.050) 11.051 3.072 ( 0.000 -0.049 -3.603) 3.603 3.572 ( 0.000 -1.044 10.015) 10.069 3.604 ( -0.000 0.126 3.139) 3.141 4.079 ( 0.000 -0.006 6.469) 6.469 4.749 ( 0.000 -23.346 10.275) 25.507 4.785 ( -0.000 0.125 -5.742) 5.744 5.277 ( -0.000 0.656 -13.505) 13.521 5.339 ( 0.000 -0.428 2.670) 2.704 5.575 ( 0.000 -0.081 0.262) 0.274 5.769 ( -0.000 2.656 10.098) 10.441 5.938 ( 0.000 -0.252 1.299) 1.323 6.168 ( -0.000 0.393 -1.620) 1.667 6.201 ( -0.000 0.592 2.263) 2.339 6.752 ( 0.000 -1.247 0.568) 1.370 7.025 ( 0.000 -31.249 12.092) 33.507 7.503 ( -0.000 1.011 -2.434) 2.635 7.620 ( -0.000 10.075 -9.441) 13.807 7.962 ( -0.000 1.842 4.521) 4.882 8.249 ( -0.000 0.622 -0.393) 0.736 ======================= Grid point 236 (79/228) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 16.520 -0.000 5.075) 17.282 1.842 ( 20.098 -0.000 0.941) 20.120 1.950 ( 3.429 -0.000 -7.806) 8.526 2.768 ( -4.837 0.000 -12.616) 13.512 3.049 ( 26.604 -0.000 6.829) 27.467 3.310 ( -7.703 0.000 9.189) 11.991 3.564 ( 14.535 -0.000 -2.998) 14.841 3.758 ( 6.132 -0.000 6.220) 8.734 3.823 ( 6.492 -0.000 5.020) 8.207 4.297 ( -1.250 0.000 0.469) 1.335 4.971 ( -0.746 0.000 -8.480) 8.512 5.256 ( -6.033 0.000 -1.253) 6.162 5.618 ( -2.487 0.000 -3.643) 4.411 5.663 ( -2.568 0.000 -12.056) 12.326 5.810 ( 6.872 -0.000 5.961) 9.097 6.193 ( 0.188 -0.000 -0.792) 0.814 6.291 ( -0.019 0.000 -4.349) 4.349 6.376 ( 3.774 -0.000 -2.047) 4.293 6.475 ( -6.299 0.000 13.423) 14.828 7.097 ( -10.225 0.000 13.371) 16.833 7.240 ( 0.349 -0.000 3.409) 3.427 7.393 ( -3.922 0.000 0.112) 3.923 8.000 ( 1.067 -0.000 -8.832) 8.896 8.116 ( -2.636 0.000 -3.929) 4.731 ======================= Grid point 237 (80/228) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 14.630 0.736 3.181) 14.990 1.984 ( 0.402 0.192 -6.091) 6.107 2.189 ( 15.265 0.002 -0.353) 15.270 2.665 ( -5.511 0.011 -7.023) 8.927 3.221 ( -0.713 0.084 7.920) 7.952 3.480 ( 18.532 0.260 3.192) 18.806 3.738 ( 2.366 -0.093 -4.001) 4.649 3.894 ( 8.049 -0.028 5.360) 9.671 3.935 ( 5.120 -0.019 3.169) 6.021 4.268 ( -1.206 0.144 -1.307) 1.784 4.981 ( 1.818 -0.540 -6.271) 6.551 5.161 ( -3.729 -0.427 -0.825) 3.843 5.534 ( -5.181 0.114 -7.596) 9.195 5.590 ( -4.882 -0.101 -12.417) 13.342 5.954 ( 7.368 -0.301 2.089) 7.664 6.236 ( 4.011 0.150 3.001) 5.012 6.282 ( -0.984 0.468 -5.225) 5.337 6.383 ( -2.895 -0.498 16.792) 17.047 6.430 ( 1.761 -0.022 0.637) 1.873 6.908 ( -9.584 -0.032 16.606) 19.173 7.251 ( 0.633 0.199 3.166) 3.234 7.326 ( -3.057 0.332 -1.221) 3.308 8.003 ( -0.237 0.652 -7.792) 7.823 8.064 ( -2.880 -0.074 -5.069) 5.830 ======================= Grid point 238 (81/228) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 11.023 1.052 0.970) 11.115 1.947 ( -4.445 0.131 -3.739) 5.810 2.403 ( 7.354 -0.008 -0.152) 7.355 2.571 ( -4.265 0.004 -2.809) 5.107 3.294 ( 8.317 0.368 4.678) 9.549 3.666 ( -8.715 -0.415 -1.424) 8.840 3.758 ( 11.437 0.299 -0.062) 11.441 3.986 ( -0.411 0.046 0.033) 0.415 4.047 ( 7.516 -0.128 4.232) 8.627 4.247 ( -1.618 0.272 -0.930) 1.886 5.046 ( 4.237 -0.551 -5.383) 6.873 5.125 ( -0.511 -0.742 -1.571) 1.811 5.453 ( -2.744 0.314 -9.235) 9.639 5.494 ( -4.925 -0.264 -11.953) 12.930 6.070 ( 4.379 -0.565 -1.799) 4.768 6.248 ( -2.094 0.754 -4.768) 5.262 6.324 ( 4.821 0.232 3.582) 6.010 6.393 ( 3.866 -0.664 20.070) 20.449 6.439 ( -0.867 -0.043 2.619) 2.759 6.733 ( -9.116 0.016 18.733) 20.834 7.257 ( 0.079 0.493 2.132) 2.190 7.273 ( -2.236 0.208 -0.898) 2.418 7.993 ( -0.170 0.606 -7.264) 7.291 8.013 ( -2.359 -0.226 -6.072) 6.518 ======================= Grid point 239 (82/228) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -9.440 -0.439 -1.024) 9.505 1.848 ( 5.823 0.255 -1.765) 6.089 2.492 ( 0.639 0.297 -0.421) 0.821 2.505 ( -0.608 -0.310 -0.491) 0.841 3.455 ( -9.136 0.068 1.120) 9.205 3.503 ( 9.231 -0.057 0.846) 9.270 3.911 ( -3.571 0.221 -0.344) 3.595 3.926 ( 2.830 -0.225 -1.417) 3.173 4.164 ( 4.542 -0.293 1.877) 4.923 4.183 ( -5.030 0.295 1.226) 5.186 5.110 ( 1.594 0.865 -3.783) 4.195 5.145 ( 2.047 -0.803 -3.765) 4.360 5.421 ( -1.658 -0.031 -10.550) 10.680 5.445 ( 1.424 0.045 -10.868) 10.961 6.137 ( 2.652 -0.465 -2.780) 3.870 6.199 ( -2.442 0.520 -4.173) 4.863 6.393 ( -2.085 0.274 3.240) 3.862 6.404 ( 1.921 0.025 2.862) 3.447 6.526 ( 8.066 -0.466 20.707) 22.227 6.564 ( -7.435 0.105 20.109) 21.440 7.230 ( -1.725 -0.052 0.259) 1.745 7.257 ( -0.322 -0.013 0.772) 0.836 7.976 ( -1.469 -0.205 -6.843) 7.002 8.000 ( 0.916 0.276 -6.808) 6.875 ======================= Grid point 240 (83/228) ======================= q-point: (-0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -14.317 -2.295 1.675) 14.596 1.932 ( 2.492 -0.368 -4.440) 5.105 2.404 ( -7.445 0.048 -0.495) 7.462 2.569 ( 4.234 -0.057 -2.937) 5.153 3.264 ( -7.687 -0.543 4.932) 9.149 3.701 ( 8.386 0.656 -1.879) 8.619 3.732 ( -12.530 -0.480 0.762) 12.562 3.983 ( 0.052 -0.064 -0.645) 0.650 4.057 ( -7.905 0.171 3.727) 8.742 4.221 ( 1.388 -0.522 -0.179) 1.494 5.104 ( -1.228 1.321 -6.307) 6.560 5.186 ( 2.315 1.087 -2.285) 3.430 5.433 ( 2.899 -0.308 -8.498) 8.985 5.510 ( 4.852 0.233 -12.253) 13.181 6.127 ( -3.999 1.284 -1.743) 4.548 6.195 ( 1.801 -0.924 -2.775) 3.435 6.304 ( -5.789 -0.288 4.168) 7.139 6.438 ( -0.823 0.647 8.251) 8.317 6.447 ( -1.179 0.275 12.134) 12.195 6.720 ( 10.323 -0.490 18.956) 21.591 7.207 ( -0.994 -1.097 1.353) 2.005 7.253 ( -0.048 -0.421 -0.418) 0.595 7.951 ( -1.593 -0.675 -7.339) 7.541 8.028 ( 2.161 0.276 -6.105) 6.482 ======================= Grid point 241 (84/228) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -15.095 -3.573 4.098) 16.044 1.951 ( -0.728 -0.865 -6.650) 6.745 2.189 ( -15.180 0.020 -0.796) 15.201 2.663 ( 5.499 -0.053 -6.926) 8.844 3.208 ( 1.574 -0.318 8.058) 8.217 3.440 ( -18.826 -0.920 3.575) 19.185 3.752 ( -4.144 0.335 -4.641) 6.231 3.896 ( -8.562 0.028 5.334) 10.088 3.939 ( -3.981 0.085 2.647) 4.781 4.243 ( 1.269 -0.651 -0.355) 1.470 5.063 ( -1.717 1.914 -8.313) 8.701 5.233 ( 3.714 1.846 -1.689) 4.478 5.519 ( 5.304 -0.362 -7.116) 8.882 5.603 ( 4.680 0.281 -12.446) 13.300 6.005 ( -7.345 1.343 4.560) 8.749 6.209 ( -4.064 -0.754 2.816) 5.002 6.233 ( 1.608 -0.838 -2.261) 2.898 6.431 ( -1.019 0.493 0.402) 1.201 6.450 ( 2.878 1.126 13.356) 13.709 6.907 ( 8.708 -0.209 17.050) 19.146 7.210 ( 0.733 -1.482 2.344) 2.869 7.268 ( 1.307 -1.293 -1.414) 2.320 7.914 ( -3.284 -1.809 -7.524) 8.406 8.074 ( 2.671 0.233 -5.156) 5.811 ======================= Grid point 242 (85/228) ======================= q-point: (-0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -13.596 -2.865 5.796) 15.055 1.850 ( -19.466 0.244 0.667) 19.479 1.921 ( -3.226 -0.944 -7.950) 8.632 2.766 ( 4.815 -0.018 -12.057) 12.983 3.024 ( -25.389 -0.813 6.733) 26.279 3.311 ( 8.330 0.043 9.005) 12.267 3.553 ( -15.315 -0.397 -3.284) 15.668 3.747 ( -6.969 -0.154 6.674) 9.651 3.837 ( -6.490 0.262 4.212) 7.741 4.278 ( 1.380 -0.602 1.316) 2.000 5.027 ( -0.828 1.613 -10.185) 10.345 5.302 ( 4.298 1.410 -2.511) 5.174 5.604 ( 2.455 -0.576 -4.060) 4.779 5.670 ( 2.236 0.256 -11.774) 11.988 5.865 ( -5.903 1.552 8.501) 10.465 6.171 ( -0.087 -0.722 -0.878) 1.140 6.263 ( 0.940 -0.816 -1.450) 1.911 6.385 ( -2.859 0.486 -3.353) 4.433 6.528 ( 5.048 1.643 11.970) 13.095 7.031 ( 3.126 -1.713 14.030) 14.476 7.266 ( 5.092 0.344 3.481) 6.178 7.325 ( 3.791 -2.542 -1.187) 4.716 7.847 ( -5.370 -3.731 -7.365) 9.849 8.123 ( 2.585 0.200 -4.060) 4.818 ======================= Grid point 243 (86/228) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -11.796 0.031 6.672) 13.552 1.458 ( -20.996 0.716 4.556) 21.497 1.858 ( -3.964 -0.737 -10.022) 10.802 2.484 ( -31.117 0.036 10.484) 32.835 2.812 ( -2.661 0.115 -17.595) 17.796 3.246 ( -14.548 -0.787 -0.012) 14.569 3.507 ( 11.954 0.352 9.233) 15.109 3.637 ( -4.786 -0.572 7.696) 9.081 3.712 ( -5.974 0.021 6.133) 8.561 4.279 ( -1.985 -0.537 3.616) 4.160 5.023 ( 1.442 0.625 -12.319) 12.419 5.363 ( 1.792 -0.261 -5.237) 5.542 5.595 ( -3.386 -0.331 0.174) 3.406 5.684 ( -0.334 0.293 -8.962) 8.973 5.781 ( -2.115 1.669 11.125) 11.447 6.199 ( 0.966 -0.520 -4.690) 4.816 6.271 ( -0.347 -0.697 -3.367) 3.455 6.341 ( -0.700 1.113 -5.529) 5.683 6.598 ( 2.804 0.221 10.806) 11.166 7.039 ( -4.577 -6.291 11.651) 14.010 7.371 ( 5.611 1.464 0.571) 5.827 7.462 ( 9.579 -1.414 2.916) 10.113 7.768 ( -5.028 -4.736 -6.793) 9.688 8.168 ( 2.357 0.245 -2.831) 3.692 ======================= Grid point 244 (87/228) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -10.093 3.720 6.756) 12.702 1.061 ( -19.918 1.378 9.856) 22.265 1.779 ( -7.881 -0.426 -8.788) 11.812 1.865 ( -29.702 1.093 13.255) 32.544 2.599 ( -17.513 0.119 -14.518) 22.749 3.102 ( -2.588 -0.715 -3.783) 4.639 3.568 ( -2.506 -0.859 9.308) 9.678 3.627 ( -2.728 -0.284 6.913) 7.437 3.756 ( 13.785 0.115 10.487) 17.321 4.213 ( -4.844 -0.378 5.280) 7.176 5.079 ( 4.373 -0.436 -13.256) 13.965 5.342 ( -5.436 -3.126 -9.541) 11.417 5.514 ( -4.935 -0.101 -0.058) 4.937 5.673 ( -0.240 0.266 -2.751) 2.774 5.750 ( -0.421 1.230 12.670) 12.736 6.156 ( -4.913 -0.856 -5.585) 7.487 6.278 ( -0.677 0.093 -8.367) 8.395 6.330 ( -0.784 1.193 -2.903) 3.235 6.642 ( 1.865 -1.832 7.458) 7.903 6.934 ( -12.222 -13.703 12.268) 22.083 7.456 ( 4.194 1.587 -1.175) 4.636 7.672 ( 10.658 1.144 5.957) 12.263 7.727 ( -0.642 -3.037 -7.961) 8.544 8.209 ( 2.152 0.377 -1.584) 2.699 ======================= Grid point 245 (88/228) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -7.381 6.938 6.236) 11.895 0.713 ( -14.611 2.480 17.445) 22.890 1.221 ( -29.176 1.913 26.374) 39.376 1.743 ( -1.946 -0.043 -12.728) 12.876 2.278 ( -13.890 0.208 -11.505) 18.037 3.077 ( -0.961 -0.465 -4.551) 4.674 3.549 ( -0.426 -1.363 9.692) 9.796 3.603 ( -0.304 -0.256 5.502) 5.516 4.046 ( 17.253 -2.402 16.103) 23.722 4.123 ( -3.877 -0.131 6.330) 7.424 5.155 ( -7.355 -4.259 -12.870) 15.423 5.209 ( -3.662 -4.645 -12.013) 13.390 5.410 ( -5.937 -0.570 -0.565) 5.991 5.644 ( -4.334 -1.103 0.848) 4.552 5.759 ( 2.218 0.824 11.833) 12.068 6.040 ( -8.187 -1.385 -6.325) 10.438 6.222 ( -4.229 0.130 -3.589) 5.548 6.273 ( -4.177 0.942 0.616) 4.326 6.690 ( 0.600 -4.244 3.749) 5.694 6.784 ( -9.822 -14.284 12.389) 21.307 7.507 ( 2.153 1.675 -1.789) 3.262 7.706 ( 0.101 1.610 -1.731) 2.366 7.885 ( 8.962 0.596 -0.635) 9.004 8.244 ( 1.653 0.603 -0.787) 1.928 ======================= Grid point 246 (89/228) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -0.000 8.220 7.142) 10.890 0.539 ( -0.000 3.610 22.281) 22.571 0.881 ( -0.000 2.289 39.104) 39.171 1.725 ( -0.000 0.074 -13.482) 13.482 2.135 ( -0.000 0.270 -10.984) 10.988 3.070 ( 0.000 -0.250 -3.687) 3.695 3.556 ( 0.000 -1.530 10.046) 10.162 3.604 ( 0.000 -0.151 3.687) 3.690 4.079 ( 0.000 -0.011 6.484) 6.484 4.479 ( 0.000 -20.747 23.462) 31.320 4.787 ( -0.000 0.234 -5.756) 5.761 5.274 ( 0.000 -1.027 -13.657) 13.696 5.331 ( 0.000 -0.779 2.653) 2.765 5.574 ( 0.000 -0.151 0.117) 0.191 5.793 ( -0.000 1.194 10.314) 10.382 5.934 ( 0.000 -0.415 1.475) 1.533 6.175 ( -0.000 0.673 -1.653) 1.785 6.212 ( -0.000 1.369 1.981) 2.408 6.716 ( 0.000 -8.122 5.852) 10.011 6.767 ( 0.000 -10.326 8.884) 13.622 7.518 ( -0.000 1.540 -2.021) 2.541 7.691 ( -0.000 3.795 -3.322) 5.043 7.977 ( -0.000 0.522 -0.628) 0.817 8.257 ( -0.000 0.769 -0.720) 1.054 ======================= Grid point 251 (90/228) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 10.837 -0.000 0.932) 10.877 1.948 ( -4.588 0.000 -3.691) 5.888 2.403 ( 7.353 -0.000 -0.130) 7.355 2.571 ( -4.275 0.000 -2.801) 5.111 3.296 ( 8.375 -0.000 4.663) 9.586 3.664 ( -8.752 0.000 -1.397) 8.863 3.759 ( 11.359 -0.000 -0.134) 11.360 3.986 ( -0.454 0.000 0.079) 0.461 4.046 ( 7.511 -0.000 4.280) 8.645 4.248 ( -1.628 0.000 -0.980) 1.900 5.042 ( 4.558 -0.000 -5.354) 7.032 5.121 ( -0.502 0.000 -1.500) 1.582 5.455 ( -2.698 0.000 -9.241) 9.627 5.492 ( -4.966 0.000 -11.974) 12.963 6.067 ( 4.403 -0.000 -1.815) 4.762 6.253 ( -2.240 0.000 -5.304) 5.757 6.325 ( 4.793 -0.000 3.634) 6.015 6.389 ( 4.080 -0.000 20.828) 21.224 6.439 ( -0.927 0.000 2.346) 2.523 6.733 ( -9.044 0.000 18.704) 20.776 7.260 ( 0.183 -0.000 2.242) 2.249 7.274 ( -2.528 0.000 -0.976) 2.710 7.997 ( -0.249 0.000 -7.287) 7.292 8.012 ( -2.430 0.000 -6.041) 6.511 ======================= Grid point 252 (91/228) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -10.649 -0.177 -0.994) 10.697 1.851 ( 6.138 0.095 -1.783) 6.392 2.496 ( 1.905 0.325 -0.454) 1.985 2.501 ( -1.866 -0.331 -0.466) 1.952 3.456 ( -11.670 0.031 1.144) 11.726 3.502 ( 11.788 -0.026 0.828) 11.818 3.914 ( -6.263 0.143 -0.371) 6.276 3.924 ( 5.337 -0.145 -1.395) 5.518 4.162 ( 4.484 -0.105 1.972) 4.900 4.186 ( -5.094 0.106 1.141) 5.221 5.122 ( 1.565 0.988 -3.719) 4.154 5.135 ( 2.974 -0.960 -3.865) 4.970 5.421 ( -2.016 -0.014 -10.501) 10.692 5.445 ( 1.726 0.020 -10.908) 11.043 6.133 ( 2.938 -0.180 -2.778) 4.047 6.204 ( -2.696 0.203 -4.324) 5.099 6.396 ( -3.243 0.167 3.397) 4.699 6.404 ( 3.033 -0.027 2.800) 4.128 6.522 ( 9.046 -0.203 20.631) 22.528 6.565 ( -8.237 0.037 20.243) 21.854 7.230 ( -2.135 -0.023 0.136) 2.140 7.257 ( -0.416 -0.006 0.905) 0.996 7.974 ( -1.600 -0.076 -6.829) 7.015 8.002 ( 0.910 0.107 -6.819) 6.880 ======================= Grid point 253 (92/228) ======================= q-point: (-0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -15.003 -1.317 1.829) 15.171 1.928 ( 2.176 -0.217 -4.562) 5.060 2.405 ( -7.480 0.030 -0.558) 7.501 2.568 ( 4.254 -0.037 -2.961) 5.183 3.259 ( -7.611 -0.292 4.981) 9.101 3.707 ( 8.387 0.361 -1.964) 8.622 3.728 ( -12.739 -0.263 0.861) 12.770 3.982 ( 0.014 -0.038 -0.748) 0.749 4.058 ( -8.007 0.092 3.658) 8.803 4.217 ( 1.333 -0.293 -0.047) 1.365 5.116 ( -1.052 0.767 -6.566) 6.694 5.195 ( 2.960 0.577 -2.349) 3.823 5.430 ( 2.909 -0.159 -8.318) 8.813 5.512 ( 4.858 0.120 -12.350) 13.271 6.139 ( -4.097 0.775 -1.747) 4.521 6.187 ( 2.111 -0.545 -2.876) 3.609 6.302 ( -6.107 -0.120 4.406) 7.531 6.443 ( 0.443 0.292 2.974) 3.021 6.450 ( -2.300 0.211 17.356) 17.509 6.716 ( 10.547 -0.335 18.958) 21.697 7.197 ( -1.394 -0.626 1.256) 1.978 7.250 ( -0.283 -0.238 -0.334) 0.499 7.945 ( -1.844 -0.347 -7.352) 7.588 8.031 ( 2.121 0.153 -6.110) 6.469 ======================= Grid point 254 (93/228) ======================= q-point: (-0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -15.195 -2.584 4.401) 16.029 1.942 ( -0.822 -0.615 -6.786) 6.863 2.189 ( -15.154 0.018 -0.896) 15.181 2.662 ( 5.503 -0.039 -6.895) 8.822 3.205 ( 1.766 -0.215 8.083) 8.276 3.431 ( -18.903 -0.620 3.639) 19.260 3.756 ( -4.608 0.220 -4.851) 6.694 3.897 ( -8.618 0.015 5.401) 10.171 3.939 ( -3.760 0.056 2.502) 4.517 4.237 ( 1.291 -0.460 -0.141) 1.378 5.082 ( -1.726 1.277 -8.773) 9.032 5.251 ( 3.676 1.298 -1.928) 4.349 5.515 ( 5.243 -0.252 -6.924) 8.688 5.606 ( 4.671 0.186 -12.544) 13.386 6.019 ( -7.439 0.952 5.270) 9.167 6.202 ( -4.117 -0.542 2.838) 5.030 6.226 ( 1.661 -0.517 -2.255) 2.848 6.435 ( -1.428 0.289 -0.675) 1.606 6.462 ( 3.699 0.897 14.177) 14.679 6.905 ( 8.626 -0.222 17.047) 19.106 7.193 ( 0.777 -1.327 1.831) 2.391 7.257 ( 0.965 -0.711 -1.110) 1.633 7.897 ( -3.923 -1.123 -7.475) 8.516 8.076 ( 2.632 0.159 -5.166) 5.800 ======================= Grid point 255 (94/228) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -12.352 -2.321 6.076) 13.960 1.852 ( -19.234 0.201 0.564) 19.243 1.911 ( -3.192 -0.791 -7.968) 8.620 2.766 ( 4.900 0.001 -11.871) 12.843 3.015 ( -25.154 -0.685 6.691) 26.037 3.311 ( 8.537 0.042 8.970) 12.383 3.549 ( -15.595 -0.350 -3.396) 15.964 3.745 ( -7.077 -0.046 6.864) 9.859 3.840 ( -6.629 0.132 3.909) 7.696 4.272 ( 1.435 -0.486 1.570) 2.182 5.043 ( -1.295 1.262 -10.697) 10.848 5.317 ( 3.665 1.095 -2.921) 4.813 5.598 ( 2.260 -0.564 -4.095) 4.711 5.673 ( 2.240 0.228 -11.771) 11.985 5.881 ( -5.787 1.157 9.393) 11.093 6.163 ( 0.044 -0.621 -0.876) 1.074 6.255 ( 0.963 -0.597 -0.979) 1.498 6.391 ( -2.596 0.484 -3.483) 4.371 6.545 ( 4.718 1.343 11.738) 12.722 7.014 ( 1.705 -1.140 14.375) 14.521 7.263 ( 6.230 -1.128 2.934) 6.978 7.302 ( 3.426 -1.135 -1.465) 3.895 7.811 ( -5.969 -2.486 -6.881) 9.442 8.125 ( 2.583 0.164 -4.088) 4.838 ======================= Grid point 256 (95/228) ======================= q-point: (-0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -9.501 0.342 6.538) 11.538 1.466 ( -20.656 0.657 4.554) 21.162 1.849 ( -3.802 -0.693 -9.954) 10.678 2.484 ( -30.583 -0.031 10.322) 32.278 2.813 ( -2.526 0.054 -17.312) 17.495 3.237 ( -14.740 -0.725 -0.143) 14.759 3.511 ( 12.110 0.280 8.880) 15.020 3.633 ( -4.963 -0.253 8.206) 9.594 3.711 ( -6.247 -0.200 5.835) 8.551 4.273 ( -1.935 -0.486 3.832) 4.320 5.030 ( 0.795 0.563 -12.621) 12.658 5.360 ( 0.474 -0.238 -5.924) 5.947 5.588 ( -3.263 -0.729 -0.054) 3.344 5.688 ( -0.222 0.344 -8.758) 8.768 5.798 ( -2.335 1.358 11.880) 12.183 6.196 ( 1.236 -0.105 -4.733) 4.893 6.260 ( -0.446 -1.172 -3.225) 3.460 6.354 ( -0.353 1.150 -4.939) 5.083 6.601 ( 1.593 0.202 10.654) 10.774 6.971 ( -8.075 -5.267 12.841) 16.057 7.385 ( 5.557 1.068 -0.099) 5.659 7.444 ( 10.868 -1.654 1.230) 11.061 7.725 ( -3.887 -2.722 -4.668) 6.657 8.171 ( 2.421 0.236 -2.892) 3.779 ======================= Grid point 257 (96/228) ======================= q-point: (-0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -7.627 4.204 6.018) 10.586 1.077 ( -19.390 1.389 9.836) 21.787 1.774 ( -6.992 -0.381 -9.182) 11.547 1.877 ( -29.841 0.842 13.322) 32.691 2.600 ( -17.546 0.086 -14.183) 22.562 3.094 ( -2.448 -0.743 -3.959) 4.713 3.561 ( -2.745 -0.511 9.329) 9.738 3.622 ( -2.886 -0.632 6.586) 7.218 3.758 ( 13.441 0.219 10.482) 17.046 4.208 ( -4.720 -0.389 5.418) 7.196 5.074 ( 3.762 -0.454 -13.286) 13.815 5.309 ( -7.230 -2.664 -10.260) 12.831 5.508 ( -5.416 -0.849 0.395) 5.496 5.676 ( -0.734 0.184 -2.868) 2.966 5.765 ( -0.633 1.177 13.159) 13.227 6.146 ( -5.501 -0.886 -4.813) 7.363 6.276 ( -0.516 -0.490 -8.303) 8.333 6.344 ( -0.925 1.325 -2.040) 2.602 6.621 ( 0.549 -1.831 7.734) 7.967 6.795 ( -13.347 -10.025 12.975) 21.142 7.474 ( 4.372 1.583 -1.277) 4.822 7.677 ( 12.327 -0.486 -0.104) 12.337 7.705 ( 0.389 -0.589 -1.103) 1.310 8.214 ( 2.285 0.410 -1.681) 2.867 ======================= Grid point 258 (97/228) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -5.473 7.709 4.851) 10.626 0.743 ( -13.541 2.650 17.026) 21.915 1.242 ( -28.784 1.609 25.265) 38.333 1.743 ( -1.769 0.038 -12.562) 12.686 2.280 ( -13.778 0.210 -11.328) 17.839 3.071 ( -0.890 -0.587 -4.701) 4.821 3.535 ( -0.661 -1.103 9.902) 9.985 3.597 ( -0.399 -0.690 5.453) 5.511 4.022 ( 14.218 -1.753 15.006) 20.746 4.121 ( -3.878 -0.176 6.325) 7.422 5.095 ( -17.045 -5.245 -11.222) 21.071 5.174 ( 4.026 -2.086 -12.117) 12.937 5.400 ( -6.177 -1.084 0.318) 6.279 5.633 ( -4.496 -0.773 0.411) 4.581 5.767 ( 1.647 0.584 12.621) 12.742 6.019 ( -8.146 -2.034 -2.797) 8.849 6.224 ( -3.748 0.259 -3.031) 4.828 6.285 ( -3.786 1.134 0.887) 4.051 6.615 ( -4.182 -6.689 8.560) 11.640 6.696 ( -0.303 -3.604 3.636) 5.128 7.527 ( 2.198 1.753 -1.687) 3.279 7.724 ( 1.377 1.636 0.818) 2.289 7.886 ( 8.559 -0.389 -1.824) 8.760 8.251 ( 1.829 0.665 -0.927) 2.156 ======================= Grid point 259 (98/228) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -0.000 9.198 5.333) 10.632 0.585 ( -0.000 4.163 20.329) 20.751 0.907 ( -0.000 2.113 37.409) 37.469 1.726 ( -0.000 0.188 -13.433) 13.435 2.138 ( -0.000 0.337 -10.889) 10.894 3.066 ( 0.000 -0.489 -3.767) 3.799 3.538 ( 0.000 -1.524 10.328) 10.440 3.600 ( 0.000 -0.576 3.967) 4.009 4.079 ( 0.000 -0.014 6.505) 6.505 4.292 ( 0.000 -12.085 23.782) 26.676 4.790 ( -0.000 0.307 -5.780) 5.788 5.256 ( 0.000 -1.868 -13.690) 13.817 5.321 ( 0.000 -0.987 2.638) 2.817 5.572 ( 0.000 -0.198 -0.096) 0.220 5.798 ( 0.000 -0.252 12.129) 12.131 5.929 ( 0.000 -0.457 1.725) 1.784 6.183 ( -0.000 0.786 -1.696) 1.870 6.231 ( -0.000 1.819 1.226) 2.194 6.609 ( 0.000 -6.863 8.404) 10.850 6.720 ( 0.000 -2.522 0.511) 2.574 7.538 ( -0.000 1.799 -1.773) 2.525 7.725 ( -0.000 2.571 0.439) 2.608 7.976 ( 0.000 -0.615 -2.411) 2.489 8.267 ( -0.000 0.807 -0.894) 1.204 ======================= Grid point 266 (99/228) ======================= q-point: (-0.71 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -15.254 0.000 1.887) 15.370 1.927 ( 2.066 -0.000 -4.606) 5.048 2.405 ( -7.494 0.000 -0.581) 7.517 2.568 ( 4.263 -0.000 -2.969) 5.195 3.257 ( -7.586 0.000 4.998) 9.085 3.709 ( 8.415 -0.000 -1.996) 8.648 3.726 ( -12.838 0.000 0.895) 12.869 3.982 ( 0.002 -0.000 -0.783) 0.783 4.059 ( -8.044 0.000 3.635) 8.827 4.215 ( 1.312 -0.000 -0.001) 1.312 5.120 ( -1.024 0.000 -6.667) 6.745 5.199 ( 3.222 -0.000 -2.365) 3.997 5.429 ( 2.912 -0.000 -8.251) 8.750 5.513 ( 4.860 -0.000 -12.386) 13.305 6.144 ( -4.242 0.000 -1.729) 4.581 6.183 ( 2.344 -0.000 -2.950) 3.767 6.301 ( -6.237 0.000 4.501) 7.691 6.445 ( 0.882 -0.000 1.175) 1.470 6.451 ( -2.681 0.000 19.143) 19.330 6.713 ( 10.626 -0.000 18.957) 21.732 7.193 ( -1.547 0.000 1.221) 1.971 7.248 ( -0.360 0.000 -0.301) 0.469 7.943 ( -1.928 0.000 -7.357) 7.605 8.032 ( 2.106 -0.000 -6.111) 6.464 ======================= Grid point 268 (100/228) ======================= q-point: (-0.64 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -15.247 -0.945 4.584) 15.949 1.937 ( -0.876 -0.223 -6.862) 6.921 2.190 ( -15.139 0.007 -0.951) 15.169 2.662 ( 5.506 -0.014 -6.878) 8.810 3.203 ( 1.869 -0.076 8.095) 8.308 3.426 ( -18.947 -0.218 3.671) 19.300 3.757 ( -4.874 0.076 -4.974) 6.964 3.897 ( -8.632 0.006 5.452) 10.209 3.940 ( -3.649 0.019 2.416) 4.377 4.233 ( 1.304 -0.166 -0.025) 1.315 5.092 ( -1.731 0.446 -9.021) 9.197 5.262 ( 3.644 0.468 -2.064) 4.214 5.513 ( 5.190 -0.091 -6.811) 8.563 5.608 ( 4.671 0.065 -12.608) 13.445 6.027 ( -7.510 0.345 5.677) 9.421 6.197 ( -4.171 -0.196 2.852) 5.056 6.222 ( 1.705 -0.176 -2.253) 2.831 6.437 ( -1.480 0.104 -0.842) 1.706 6.469 ( 4.011 0.337 14.207) 14.766 6.903 ( 8.629 -0.096 17.029) 19.090 7.182 ( 0.610 -0.536 1.468) 1.678 7.252 ( 0.908 -0.216 -0.861) 1.270 7.889 ( -4.239 -0.376 -7.451) 8.580 8.077 ( 2.611 0.056 -5.170) 5.792 ======================= Grid point 269 (101/228) ======================= q-point: (-0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -11.379 -1.291 6.275) 13.058 1.854 ( -19.057 0.113 0.478) 19.063 1.904 ( -3.189 -0.452 -7.961) 8.588 2.766 ( 4.988 0.007 -11.743) 12.758 3.009 ( -25.046 -0.396 6.663) 25.921 3.312 ( 8.683 0.027 8.955) 12.473 3.545 ( -15.794 -0.207 -3.482) 16.175 3.745 ( -7.119 0.002 7.013) 9.993 3.841 ( -6.751 0.045 3.681) 7.689 4.267 ( 1.477 -0.271 1.739) 2.298 5.055 ( -1.593 0.694 -11.052) 11.187 5.326 ( 3.199 0.590 -3.191) 4.557 5.592 ( 2.069 -0.359 -4.086) 4.594 5.675 ( 2.260 0.134 -11.788) 12.003 5.891 ( -5.758 0.607 10.014) 11.567 6.157 ( 0.149 -0.364 -0.867) 0.952 6.250 ( 0.935 -0.302 -0.739) 1.230 6.396 ( -2.397 0.307 -3.499) 4.252 6.557 ( 4.436 0.752 11.627) 12.467 7.005 ( 0.835 -0.506 14.743) 14.775 7.245 ( 6.046 -1.447 0.802) 6.268 7.297 ( 4.079 -0.022 -0.128) 4.081 7.789 ( -6.195 -1.201 -6.547) 9.093 8.126 ( 2.584 0.092 -4.102) 4.849 ======================= Grid point 270 (102/228) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -7.500 0.450 6.332) 9.826 1.473 ( -20.381 0.460 4.559) 20.890 1.842 ( -3.652 -0.498 -9.892) 10.556 2.483 ( -30.240 -0.070 10.258) 31.932 2.813 ( -2.391 0.012 -17.125) 17.291 3.230 ( -14.904 -0.511 -0.252) 14.915 3.514 ( 12.173 0.164 8.577) 14.892 3.631 ( -4.923 -0.015 8.772) 10.059 3.708 ( -6.562 -0.264 5.471) 8.547 4.268 ( -1.896 -0.337 3.997) 4.436 5.036 ( 0.295 0.411 -12.865) 12.875 5.357 ( -0.504 -0.189 -6.443) 6.465 5.580 ( -3.343 -0.735 -0.110) 3.425 5.691 ( -0.156 0.261 -8.620) 8.626 5.811 ( -2.473 0.852 12.470) 12.741 6.197 ( 2.064 0.269 -5.211) 5.611 6.245 ( -1.293 -1.246 -2.652) 3.203 6.366 ( -0.028 0.910 -4.458) 4.550 6.602 ( 0.687 0.111 10.548) 10.571 6.921 ( -10.583 -3.404 13.393) 17.406 7.396 ( 6.003 0.767 -0.401) 6.065 7.426 ( 11.491 -1.354 -0.218) 11.572 7.703 ( -2.768 -1.257 -3.031) 4.292 8.173 ( 2.478 0.172 -2.932) 3.843 ======================= Grid point 271 (103/228) ======================= q-point: (-0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -5.461 3.753 5.239) 8.447 1.092 ( -18.934 1.117 9.829) 21.362 1.770 ( -6.376 -0.277 -9.320) 11.296 1.884 ( -29.867 0.463 13.258) 32.680 2.601 ( -17.570 0.049 -13.880) 22.391 3.086 ( -2.325 -0.616 -4.137) 4.786 3.557 ( -2.872 -0.189 9.441) 9.870 3.614 ( -3.129 -0.710 6.309) 7.078 3.760 ( 13.233 0.224 10.417) 16.843 4.204 ( -4.615 -0.320 5.530) 7.210 5.069 ( 3.192 -0.346 -13.300) 13.682 5.282 ( -8.658 -1.978 -10.714) 13.916 5.496 ( -5.682 -1.066 0.895) 5.850 5.677 ( -1.220 0.087 -3.025) 3.263 5.777 ( -0.801 0.888 13.655) 13.707 6.136 ( -6.609 -0.821 -3.907) 7.721 6.268 ( 0.029 -0.728 -7.861) 7.894 6.359 ( -1.202 1.162 -1.393) 2.177 6.603 ( -0.788 -1.152 7.984) 8.105 6.703 ( -11.795 -6.125 11.887) 17.831 7.491 ( 4.447 1.311 -1.403) 4.844 7.666 ( 11.649 -1.055 -4.055) 12.380 7.707 ( 2.831 0.459 3.551) 4.565 8.218 ( 2.410 0.353 -1.758) 3.004 ======================= Grid point 272 (104/228) ======================= q-point: (-0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -3.904 7.139 3.773) 8.969 0.772 ( -12.609 2.274 16.660) 21.017 1.256 ( -28.637 0.933 24.386) 37.625 1.744 ( -1.582 0.090 -12.404) 12.505 2.282 ( -13.653 0.177 -11.147) 17.626 3.064 ( -0.859 -0.578 -4.895) 5.004 3.524 ( -0.911 -0.677 10.191) 10.254 3.588 ( -0.471 -0.925 5.263) 5.365 4.006 ( 12.189 -0.985 13.958) 18.557 4.119 ( -3.820 -0.177 6.325) 7.391 5.043 ( -17.659 -3.662 -9.858) 20.553 5.154 ( 4.633 -1.465 -12.299) 13.224 5.386 ( -6.180 -1.170 0.801) 6.341 5.626 ( -4.455 -0.518 -0.026) 4.485 5.773 ( 0.877 0.378 13.465) 13.499 5.996 ( -7.497 -1.851 -0.249) 7.726 6.228 ( -3.101 0.409 -3.001) 4.335 6.298 ( -3.447 0.959 0.972) 3.708 6.560 ( -2.421 -2.981 5.862) 7.008 6.663 ( 1.182 -2.448 1.996) 3.373 7.546 ( 2.191 1.459 -1.600) 3.081 7.744 ( 2.336 1.868 2.543) 3.926 7.877 ( 8.053 -1.016 -2.460) 8.481 8.258 ( 1.960 0.610 -1.031) 2.297 ======================= Grid point 273 (105/228) ======================= q-point: (-0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -0.000 8.960 4.370) 9.969 0.632 ( -0.000 3.868 18.597) 18.995 0.927 ( -0.000 1.208 35.959) 35.979 1.729 ( -0.000 0.249 -13.330) 13.333 2.142 ( -0.000 0.336 -10.783) 10.788 3.059 ( 0.000 -0.605 -3.904) 3.950 3.523 ( 0.000 -1.158 10.595) 10.658 3.592 ( 0.000 -0.914 4.047) 4.149 4.079 ( 0.000 -0.014 6.529) 6.529 4.190 ( 0.000 -6.140 20.478) 21.379 4.794 ( -0.000 0.326 -5.814) 5.823 5.233 ( 0.000 -2.033 -13.705) 13.855 5.309 ( 0.000 -1.006 2.635) 2.821 5.569 ( 0.000 -0.208 -0.337) 0.396 5.791 ( 0.000 -0.689 13.530) 13.547 5.924 ( 0.000 -0.400 1.993) 2.033 6.192 ( -0.000 0.737 -1.739) 1.889 6.252 ( -0.000 1.706 0.506) 1.780 6.556 ( 0.000 -2.780 4.616) 5.388 6.692 ( 0.000 -2.350 -0.194) 2.358 7.558 ( -0.000 1.641 -1.514) 2.233 7.754 ( -0.000 2.516 2.612) 3.626 7.964 ( 0.000 -1.310 -3.094) 3.360 8.276 ( -0.000 0.755 -0.987) 1.242 ======================= Grid point 282 (106/228) ======================= q-point: (-0.64 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -11.006 0.000 6.346) 12.704 1.855 ( -18.988 0.000 0.443) 18.993 1.901 ( -3.195 0.000 -7.953) 8.571 2.766 ( 5.027 -0.000 -11.697) 12.731 3.006 ( -25.020 0.000 6.654) 25.890 3.312 ( 8.735 -0.000 8.952) 12.508 3.544 ( -15.866 0.000 -3.515) 16.251 3.745 ( -7.128 0.000 7.071) 10.040 3.841 ( -6.800 0.000 3.595) 7.692 4.266 ( 1.492 -0.000 1.798) 2.337 5.059 ( -1.693 0.000 -11.180) 11.307 5.330 ( 3.026 -0.000 -3.284) 4.466 5.590 ( 1.989 -0.000 -4.075) 4.535 5.675 ( 2.269 -0.000 -11.797) 12.014 5.895 ( -5.758 0.000 10.235) 11.743 6.155 ( 0.188 -0.000 -0.863) 0.883 6.248 ( 0.919 -0.000 -0.668) 1.137 6.398 ( -2.320 0.000 -3.492) 4.192 6.562 ( 4.318 -0.000 11.598) 12.376 7.002 ( 0.540 -0.000 14.922) 14.932 7.236 ( 5.928 -0.000 0.044) 5.929 7.297 ( 4.368 -0.000 0.280) 4.377 7.783 ( -6.245 0.000 -6.429) 8.962 8.127 ( 2.585 -0.000 -4.106) 4.852 ======================= Grid point 284 (107/228) ======================= q-point: (-0.57 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -6.330 0.207 6.174) 8.844 1.476 ( -20.228 0.165 4.565) 20.737 1.838 ( -3.560 -0.182 -9.854) 10.479 2.482 ( -30.083 -0.036 10.249) 31.780 2.813 ( -2.306 -0.001 -17.036) 17.191 3.226 ( -14.999 -0.184 -0.313) 15.003 3.515 ( 12.164 0.051 8.403) 14.784 3.631 ( -4.789 0.031 9.174) 10.349 3.705 ( -6.796 -0.123 5.190) 8.552 4.265 ( -1.875 -0.120 4.085) 4.496 5.039 ( 0.025 0.154 -13.008) 13.009 5.356 ( -1.026 -0.075 -6.718) 6.796 5.573 ( -3.441 -0.308 -0.076) 3.456 5.693 ( -0.133 0.095 -8.559) 8.561 5.818 ( -2.537 0.286 12.791) 13.043 6.201 ( 3.508 0.275 -6.166) 7.099 6.234 ( -2.807 -0.639 -1.640) 3.313 6.374 ( 0.173 0.353 -4.207) 4.225 6.603 ( 0.225 0.027 10.516) 10.518 6.894 ( -11.841 -1.162 13.558) 18.038 7.403 ( 6.640 0.548 -0.081) 6.663 7.414 ( 11.483 -0.775 -1.405) 11.594 7.694 ( -2.141 -0.353 -2.206) 3.095 8.175 ( 2.513 0.063 -2.951) 3.876 ======================= Grid point 285 (108/228) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -4.003 2.235 4.631) 6.517 1.102 ( -18.630 0.619 9.828) 21.073 1.768 ( -6.017 -0.145 -9.325) 11.098 1.888 ( -29.872 0.166 13.185) 32.653 2.601 ( -17.583 0.021 -13.670) 22.272 3.080 ( -2.242 -0.350 -4.273) 4.838 3.556 ( -2.872 -0.007 9.612) 10.031 3.607 ( -3.404 -0.482 6.074) 6.980 3.763 ( 13.150 0.137 10.346) 16.733 4.201 ( -4.546 -0.180 5.601) 7.216 5.066 ( 2.782 -0.174 -13.318) 13.607 5.264 ( -9.545 -1.070 -10.905) 14.532 5.485 ( -5.768 -0.715 1.277) 5.951 5.678 ( -1.548 0.028 -3.147) 3.507 5.785 ( -0.906 0.465 14.032) 14.069 6.128 ( -7.661 -0.514 -3.157) 8.302 6.261 ( 0.697 -0.484 -7.461) 7.509 6.370 ( -1.514 0.688 -0.982) 1.931 6.596 ( -1.060 -0.055 7.786) 7.858 6.650 ( -10.625 -3.274 10.825) 15.518 7.503 ( 4.374 0.752 -1.528) 4.694 7.657 ( 12.148 -0.567 -4.094) 12.832 7.711 ( 3.408 0.288 4.084) 5.327 8.222 ( 2.499 0.205 -1.806) 3.090 ======================= Grid point 286 (109/228) ======================= q-point: (-0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -2.674 5.168 2.965) 6.531 0.793 ( -11.989 1.479 16.421) 20.386 1.263 ( -28.740 0.308 23.889) 37.373 1.745 ( -1.432 0.086 -12.287) 12.370 2.284 ( -13.544 0.118 -11.000) 17.449 3.059 ( -0.850 -0.423 -5.084) 5.172 3.519 ( -1.117 -0.270 10.576) 10.638 3.577 ( -0.518 -0.828 4.936) 5.032 3.998 ( 11.064 -0.434 13.219) 17.244 4.117 ( -3.752 -0.132 6.325) 7.355 5.011 ( -16.795 -2.040 -9.081) 19.202 5.140 ( 4.361 -0.937 -12.355) 13.135 5.374 ( -6.073 -0.884 1.059) 6.228 5.621 ( -4.390 -0.305 -0.348) 4.415 5.776 ( 0.231 0.206 14.133) 14.136 5.979 ( -6.682 -1.175 0.957) 6.851 6.232 ( -2.650 0.358 -3.236) 4.198 6.307 ( -3.206 0.606 1.080) 3.437 6.539 ( -1.260 -0.923 3.552) 3.880 6.638 ( 1.557 -1.756 1.634) 2.859 7.560 ( 2.148 0.928 -1.499) 2.778 7.766 ( 3.080 1.869 4.111) 5.466 7.864 ( 7.594 -1.302 -3.305) 8.384 8.264 ( 2.042 0.428 -1.095) 2.356 ======================= Grid point 287 (110/228) ======================= q-point: (-0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.000 7.533 3.568) 8.335 0.671 ( -0.000 2.928 17.312) 17.558 0.934 ( -0.000 0.060 35.266) 35.266 1.732 ( -0.000 0.226 -13.204) 13.206 2.146 ( -0.000 0.269 -10.688) 10.691 3.052 ( 0.000 -0.538 -4.096) 4.131 3.512 ( 0.000 -0.661 10.893) 10.913 3.580 ( 0.000 -0.970 3.912) 4.031 4.078 ( 0.000 -0.011 6.551) 6.551 4.140 ( 0.000 -2.869 17.737) 17.968 4.797 ( -0.000 0.277 -5.851) 5.858 5.212 ( 0.000 -1.674 -13.653) 13.755 5.299 ( 0.000 -0.823 2.645) 2.770 5.567 ( 0.000 -0.173 -0.557) 0.583 5.784 ( 0.000 -0.581 14.222) 14.234 5.920 ( 0.000 -0.286 2.229) 2.247 6.200 ( -0.000 0.561 -1.774) 1.860 6.269 ( -0.000 1.244 0.048) 1.244 6.537 ( 0.000 -0.915 2.314) 2.489 6.667 ( 0.000 -1.950 -0.447) 2.000 7.574 ( -0.000 1.182 -1.230) 1.706 7.783 ( -0.000 2.525 4.151) 4.859 7.947 ( 0.000 -1.666 -3.675) 4.035 8.284 ( -0.000 0.586 -1.026) 1.182 ======================= Grid point 298 (111/228) ======================= q-point: (-0.57 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -3.491 0.000 4.400) 5.617 1.105 ( -18.525 0.000 9.828) 20.970 1.767 ( -5.899 0.000 -9.309) 11.021 1.889 ( -29.875 0.000 13.156) 32.643 2.601 ( -17.587 0.000 -13.595) 22.229 3.078 ( -2.212 0.000 -4.323) 4.856 3.556 ( -2.842 0.000 9.709) 10.116 3.604 ( -3.537 0.000 5.964) 6.934 3.763 ( 13.132 -0.000 10.317) 16.700 4.200 ( -4.522 0.000 5.626) 7.218 5.065 ( 2.633 -0.000 -13.329) 13.586 5.258 ( -9.842 0.000 -10.947) 14.720 5.481 ( -5.779 0.000 1.418) 5.951 5.678 ( -1.662 0.000 -3.192) 3.598 5.787 ( -0.942 0.000 14.174) 14.205 6.125 ( -8.077 0.000 -2.873) 8.572 6.258 ( 0.995 -0.000 -7.323) 7.390 6.374 ( -1.656 0.000 -0.839) 1.856 6.598 ( 0.229 -0.000 7.230) 7.233 6.629 ( -11.505 0.000 10.841) 15.808 7.508 ( 4.309 -0.000 -1.582) 4.590 7.653 ( 12.478 -0.000 -3.972) 13.095 7.713 ( 3.461 -0.000 4.144) 5.400 8.223 ( 2.531 -0.000 -1.821) 3.118 ======================= Grid point 300 (112/228) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -1.873 1.922 2.445) 3.631 0.805 ( -11.754 0.493 16.357) 20.149 1.265 ( -28.920 0.030 23.719) 37.402 1.746 ( -1.349 0.035 -12.227) 12.301 2.285 ( -13.482 0.041 -10.918) 17.349 3.055 ( -0.849 -0.155 -5.201) 5.272 3.518 ( -1.241 -0.045 10.940) 11.010 3.570 ( -0.532 -0.345 4.601) 4.645 3.995 ( 10.582 -0.114 12.855) 16.651 4.116 ( -3.710 -0.049 6.324) 7.332 4.995 ( -16.142 -0.647 -8.735) 18.366 5.133 ( 4.135 -0.325 -12.365) 13.042 5.367 ( -5.981 -0.328 1.175) 6.104 5.619 ( -4.353 -0.101 -0.517) 4.385 5.778 ( -0.123 0.064 14.492) 14.493 5.970 ( -6.184 -0.391 1.363) 6.344 6.235 ( -2.440 0.139 -3.421) 4.204 6.311 ( -3.082 0.204 1.167) 3.302 6.534 ( -0.887 -0.142 2.427) 2.588 6.624 ( 1.754 -0.673 1.586) 2.459 7.567 ( 2.111 0.313 -1.421) 2.564 7.784 ( 3.443 0.993 5.971) 6.964 7.850 ( 7.378 -0.786 -4.818) 8.847 8.268 ( 2.080 0.154 -1.122) 2.369 ======================= Grid point 301 (113/228) ======================= q-point: (-0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -0.000 4.618 2.337) 5.176 0.698 ( -0.000 1.568 16.537) 16.611 0.930 ( 0.000 -0.572 35.711) 35.715 1.734 ( -0.000 0.132 -13.106) 13.107 2.148 ( -0.000 0.149 -10.622) 10.623 3.047 ( 0.000 -0.313 -4.267) 4.278 3.507 ( 0.000 -0.249 11.245) 11.248 3.571 ( 0.000 -0.643 3.629) 3.685 4.078 ( 0.000 -0.006 6.566) 6.566 4.118 ( 0.000 -1.112 16.196) 16.234 4.800 ( -0.000 0.160 -5.881) 5.884 5.196 ( 0.000 -0.936 -13.578) 13.610 5.291 ( 0.000 -0.463 2.660) 2.700 5.566 ( 0.000 -0.098 -0.711) 0.717 5.779 ( 0.000 -0.304 14.481) 14.485 5.917 ( 0.000 -0.147 2.389) 2.393 6.205 ( -0.000 0.301 -1.796) 1.821 6.280 ( -0.000 0.642 -0.179) 0.666 6.531 ( 0.000 -0.174 1.097) 1.111 6.649 ( 0.000 -1.146 -0.486) 1.245 7.584 ( -0.000 0.600 -0.989) 1.157 7.810 ( -0.000 1.920 5.671) 5.987 7.928 ( 0.000 -1.436 -4.689) 4.904 8.289 ( -0.000 0.320 -1.035) 1.083 ======================= Grid point 315 (114/228) ======================= q-point: ( 0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 0.000 1.424) 1.424 0.707 ( -0.000 0.000 16.279) 16.279 0.926 ( -0.000 0.000 36.383) 36.383 1.735 ( -0.000 0.000 -13.070) 13.070 2.149 ( -0.000 0.000 -10.598) 10.598 3.046 ( -0.000 0.000 -4.335) 4.335 3.506 ( -0.000 0.000 11.432) 11.432 3.567 ( -0.000 0.000 3.462) 3.462 4.078 ( -0.000 0.000 6.571) 6.571 4.112 ( -0.000 0.000 15.713) 15.713 4.801 ( -0.000 0.000 -5.893) 5.893 5.191 ( -0.000 0.000 -13.544) 13.544 5.289 ( -0.000 0.000 2.666) 2.666 5.565 ( 0.000 -0.000 -0.766) 0.766 5.777 ( -0.000 0.000 14.541) 14.541 5.916 ( -0.000 0.000 2.445) 2.445 6.207 ( -0.000 0.000 -1.803) 1.803 6.284 ( -0.000 0.000 -0.244) 0.244 6.530 ( -0.000 0.000 0.702) 0.702 6.642 ( -0.000 0.000 -0.467) 0.467 7.588 ( -0.000 0.000 -0.893) 0.893 7.822 ( -0.000 0.000 6.735) 6.735 7.919 ( -0.000 0.000 -5.599) 5.599 8.291 ( -0.000 0.000 -1.035) 1.035 ======================= Grid point 410 (115/228) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 0.000 0.000 18.959) 18.959 0.975 ( 0.000 0.000 23.783) 23.783 1.291 ( 0.000 0.000 -14.737) 14.737 1.720 ( 0.000 0.000 31.859) 31.859 1.834 ( 0.000 0.000 -18.160) 18.160 2.860 ( 0.000 0.000 -18.176) 18.176 3.721 ( 0.000 0.000 8.160) 8.160 3.787 ( 0.000 0.000 8.527) 8.527 4.244 ( 0.000 0.000 9.561) 9.561 4.634 ( 0.000 0.000 -8.930) 8.930 4.825 ( 0.000 0.000 -2.967) 2.967 5.026 ( 0.000 0.000 -11.274) 11.274 5.412 ( 0.000 0.000 4.253) 4.253 5.561 ( 0.000 0.000 -2.011) 2.011 5.979 ( 0.000 0.000 11.373) 11.373 5.982 ( 0.000 0.000 3.048) 3.048 6.120 ( 0.000 0.000 -2.979) 2.979 6.232 ( 0.000 0.000 0.320) 0.320 6.781 ( 0.000 0.000 1.919) 1.919 7.092 ( 0.000 0.000 -14.668) 14.668 7.410 ( 0.000 0.000 1.201) 1.201 7.476 ( 0.000 0.000 -1.722) 1.722 8.109 ( 0.000 0.000 6.243) 6.243 8.237 ( 0.000 0.000 -0.934) 0.934 ======================= Grid point 411 (116/228) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 8.080 -0.775 17.071) 18.902 1.075 ( 9.279 -0.378 18.916) 21.072 1.384 ( 7.943 0.008 -14.658) 16.672 1.847 ( 14.062 -0.270 30.619) 33.695 1.965 ( 12.518 -0.164 -18.523) 22.357 2.878 ( 2.245 0.096 -16.656) 16.807 3.725 ( 0.570 0.161 7.648) 7.671 3.785 ( -0.113 0.163 8.080) 8.083 4.277 ( 2.945 0.022 8.471) 8.968 4.335 ( -19.162 0.369 7.433) 20.556 4.954 ( -5.253 0.813 -11.012) 12.228 4.994 ( 8.680 1.167 -15.042) 17.406 5.461 ( 4.315 -0.023 4.555) 6.274 5.638 ( 4.128 0.301 -3.212) 5.240 5.969 ( -0.245 0.513 7.769) 7.790 5.981 ( 0.703 -1.233 4.467) 4.687 6.131 ( 0.660 -0.089 -4.658) 4.705 6.247 ( 0.622 -0.509 -1.544) 1.741 6.802 ( 2.340 0.858 4.640) 5.267 7.192 ( 10.146 8.159 -13.764) 18.946 7.397 ( -2.184 -3.412 -0.130) 4.053 7.478 ( 0.085 -2.501 -2.902) 3.831 8.040 ( -6.557 0.857 8.031) 10.403 8.214 ( -2.282 0.012 -1.661) 2.823 ======================= Grid point 412 (117/228) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 12.250 -0.802 14.315) 18.858 1.295 ( 13.160 -0.378 9.464) 16.214 1.533 ( 7.603 -0.057 -7.585) 10.740 2.225 ( 16.290 0.465 -9.294) 18.761 2.248 ( 22.338 -0.978 10.537) 24.717 2.968 ( 8.219 0.325 -11.554) 14.182 3.745 ( 1.902 0.468 5.946) 6.260 3.779 ( -0.816 0.266 5.886) 5.949 4.013 ( -13.863 -0.161 14.188) 19.837 4.328 ( 1.401 -0.129 3.791) 4.044 4.859 ( -2.981 0.522 -7.750) 8.320 5.128 ( 5.983 1.590 -15.936) 17.096 5.548 ( 4.150 -0.218 3.576) 5.483 5.637 ( -3.222 -0.065 -0.805) 3.321 5.951 ( -1.802 -0.776 9.457) 9.659 6.063 ( 6.466 -0.254 -3.494) 7.354 6.136 ( 0.057 -0.049 -4.887) 4.888 6.246 ( -1.101 -0.907 -3.410) 3.696 6.841 ( 1.636 1.017 9.569) 9.761 7.273 ( 2.727 6.510 -3.819) 8.025 7.367 ( -2.893 -2.337 -1.981) 4.213 7.547 ( 6.118 0.054 -10.732) 12.353 7.878 ( -9.302 1.007 10.930) 14.388 8.156 ( -3.703 0.059 -3.533) 5.119 ======================= Grid point 413 (118/228) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 13.521 0.212 12.029) 18.099 1.550 ( 12.419 0.042 -4.794) 13.312 1.692 ( 10.050 -0.079 3.873) 10.771 2.407 ( 5.501 -0.253 -21.072) 21.780 2.748 ( 26.425 0.100 14.229) 30.012 3.196 ( 15.228 0.532 -6.447) 16.545 3.691 ( -8.570 0.149 7.919) 11.669 3.796 ( 3.664 0.529 3.349) 4.991 3.875 ( -0.539 -0.531 12.697) 12.720 4.314 ( -2.738 -0.194 -3.317) 4.306 4.847 ( 1.463 0.218 -1.843) 2.363 5.193 ( 1.433 0.800 -12.763) 12.869 5.558 ( -4.400 -0.192 -1.809) 4.761 5.593 ( -0.606 0.020 -0.966) 1.140 5.926 ( -0.713 -1.736 7.931) 8.150 6.149 ( 1.989 0.273 -0.838) 2.175 6.192 ( 5.275 -0.504 -5.655) 7.750 6.227 ( -0.088 -0.499 -3.237) 3.276 6.834 ( -1.930 0.045 13.110) 13.252 7.264 ( -0.844 1.937 -1.983) 2.897 7.326 ( -1.604 -0.217 1.668) 2.324 7.652 ( 4.491 4.840 -10.758) 12.623 7.696 ( -8.063 -0.260 10.616) 13.333 8.079 ( -4.217 0.055 -5.924) 7.272 ======================= Grid point 414 (119/228) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 13.243 1.729 9.552) 16.420 1.726 ( 6.824 0.815 -11.597) 13.480 1.936 ( 14.671 -0.045 7.465) 16.461 2.469 ( 1.630 -0.137 -16.366) 16.447 3.202 ( 20.740 0.638 8.539) 22.438 3.479 ( 13.062 0.510 -4.681) 13.885 3.538 ( -5.928 -0.047 12.449) 13.788 3.874 ( 4.620 0.324 0.614) 4.671 3.918 ( 3.839 -0.370 7.566) 8.492 4.248 ( -3.705 -0.133 -6.270) 7.284 4.886 ( 2.108 -0.519 0.625) 2.259 5.178 ( -2.443 -0.404 -8.286) 8.648 5.475 ( -4.497 -0.162 -4.784) 6.568 5.524 ( -5.813 0.334 -4.725) 7.499 5.959 ( 2.498 -2.164 6.238) 7.060 6.191 ( -1.521 -0.748 -5.390) 5.650 6.206 ( 4.164 0.539 2.181) 4.731 6.324 ( 5.889 0.375 -2.927) 6.587 6.788 ( -2.509 -0.791 15.883) 16.099 7.224 ( -2.337 -0.330 -2.358) 3.336 7.314 ( 0.393 1.976 5.537) 5.892 7.512 ( -8.509 1.336 13.464) 15.983 7.726 ( 3.283 3.081 -12.595) 13.375 7.997 ( -4.381 -0.031 -8.239) 9.331 ======================= Grid point 415 (120/228) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 11.734 2.614 6.491) 13.662 1.818 ( 3.582 1.230 -8.577) 9.376 2.205 ( 12.955 0.176 2.738) 13.242 2.489 ( 0.721 0.064 -9.764) 9.791 3.402 ( -0.804 0.215 9.251) 9.288 3.573 ( 12.157 0.797 8.047) 14.601 3.656 ( 4.249 -0.125 -4.600) 6.264 3.941 ( 2.029 0.319 -3.469) 4.031 4.016 ( 6.147 -0.108 5.939) 8.548 4.202 ( -0.718 0.058 -4.596) 4.653 4.929 ( 1.996 -1.188 -0.042) 2.323 5.126 ( -3.122 -1.189 -5.645) 6.560 5.387 ( -4.809 -0.011 -5.751) 7.497 5.407 ( -5.672 0.063 -5.421) 7.846 6.021 ( 2.462 -1.852 2.376) 3.891 6.167 ( -1.346 -0.142 -5.003) 5.183 6.295 ( 5.298 0.691 3.726) 6.514 6.414 ( 3.691 0.398 -1.588) 4.038 6.772 ( 0.778 -1.018 18.433) 18.478 7.192 ( -1.421 -1.050 2.259) 2.867 7.298 ( -1.711 2.594 6.727) 7.410 7.357 ( -6.097 1.176 10.935) 12.575 7.755 ( 1.515 2.104 -12.684) 12.946 7.915 ( -4.303 -0.189 -10.213) 11.084 ======================= Grid point 416 (121/228) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 8.766 2.102 2.779) 9.433 1.845 ( -0.140 0.841 -5.112) 5.182 2.401 ( 7.453 0.149 0.401) 7.465 2.498 ( 0.289 0.134 -3.946) 3.959 3.406 ( 2.697 0.493 7.323) 7.820 3.635 ( -5.530 -0.571 -3.278) 6.454 3.777 ( 8.922 0.327 2.962) 9.407 3.956 ( -0.332 0.407 -3.112) 3.156 4.126 ( 4.792 -0.036 2.934) 5.619 4.203 ( 0.147 0.233 -2.355) 2.371 4.978 ( 2.454 -1.005 -1.988) 3.315 5.082 ( -2.223 -1.033 -5.000) 5.568 5.306 ( -3.208 0.074 -4.651) 5.651 5.321 ( -3.338 -0.107 -5.427) 6.372 6.069 ( 1.706 -1.234 -0.396) 2.143 6.141 ( -1.329 0.324 -3.897) 4.130 6.386 ( 4.310 0.406 3.278) 5.430 6.456 ( 0.919 0.226 0.065) 0.948 6.836 ( 5.261 -1.087 19.978) 20.688 7.132 ( -7.248 0.119 19.760) 21.048 7.231 ( -0.256 0.503 -2.195) 2.266 7.301 ( -1.171 1.595 4.692) 5.092 7.767 ( 0.988 1.108 -12.755) 12.841 7.842 ( -3.438 -0.349 -11.729) 12.227 ======================= Grid point 417 (122/228) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.000 -0.000 -0.899) 0.899 1.806 ( 0.000 -0.000 -1.662) 1.662 2.479 ( 0.000 -0.000 -0.388) 0.388 2.493 ( -0.000 -0.000 -0.931) 0.931 3.485 ( 0.000 -0.000 1.900) 1.900 3.522 ( 0.000 -0.000 0.638) 0.638 3.907 ( -0.000 -0.000 0.059) 0.059 3.908 ( 0.000 -0.000 -0.493) 0.493 4.185 ( 0.000 0.000 -0.199) 0.199 4.192 ( 0.000 -0.000 -0.321) 0.321 5.016 ( 0.000 -0.000 -3.253) 3.253 5.055 ( 0.000 -0.000 -4.907) 4.907 5.274 ( 0.000 -0.000 -4.231) 4.231 5.288 ( 0.000 -0.000 -4.917) 4.917 6.097 ( 0.000 -0.000 -1.705) 1.705 6.120 ( 0.000 -0.000 -2.787) 2.787 6.441 ( -0.000 -0.000 1.973) 1.973 6.450 ( 0.000 -0.000 1.583) 1.583 6.971 ( 0.000 -0.000 21.123) 21.123 6.975 ( -0.000 -0.000 19.568) 19.568 7.245 ( 0.000 -0.000 1.019) 1.019 7.277 ( -0.000 -0.000 1.858) 1.858 7.782 ( 0.000 -0.000 -12.683) 12.683 7.800 ( 0.000 -0.000 -12.433) 12.433 ======================= Grid point 426 (123/228) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 12.524 -0.000 14.504) 19.163 1.293 ( 13.267 -0.000 9.705) 16.438 1.533 ( 7.607 -0.000 -7.867) 10.943 2.229 ( 13.070 -0.000 -20.771) 24.541 2.240 ( 25.666 -0.000 22.077) 33.855 2.970 ( 8.255 -0.000 -11.580) 14.221 3.748 ( 1.943 -0.000 5.836) 6.151 3.780 ( -0.826 0.000 6.019) 6.075 4.012 ( -14.103 0.000 14.100) 19.942 4.327 ( 1.390 -0.000 3.646) 3.902 4.862 ( -3.082 0.000 -7.549) 8.154 5.138 ( 5.641 -0.000 -16.180) 17.135 5.547 ( 4.191 -0.000 3.776) 5.641 5.637 ( -3.395 0.000 -0.742) 3.475 5.947 ( -1.981 0.000 9.480) 9.685 6.061 ( 6.696 -0.000 -3.695) 7.648 6.135 ( 0.070 -0.000 -4.869) 4.869 6.241 ( -1.038 0.000 -3.476) 3.628 6.847 ( 1.337 -0.000 9.746) 9.837 7.326 ( -0.302 0.000 -9.304) 9.309 7.338 ( -1.998 0.000 2.901) 3.522 7.547 ( 8.138 -0.000 -11.399) 14.006 7.885 ( -9.436 0.000 10.869) 14.394 8.156 ( -3.700 0.000 -3.431) 5.046 ======================= Grid point 427 (124/228) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 14.094 0.081 12.037) 18.535 1.551 ( 12.720 0.008 -4.193) 13.394 1.691 ( 10.021 -0.019 3.244) 10.533 2.405 ( 5.523 -0.084 -21.202) 21.910 2.749 ( 26.673 0.025 14.415) 30.319 3.200 ( 15.203 0.187 -6.453) 16.517 3.692 ( -8.806 0.059 8.008) 11.903 3.801 ( 3.650 0.254 2.938) 4.693 3.870 ( -0.473 -0.256 12.955) 12.966 4.312 ( -2.724 -0.075 -3.581) 4.500 4.849 ( 1.202 0.076 -1.510) 1.932 5.200 ( 0.863 0.304 -12.769) 12.801 5.556 ( -4.495 -0.077 -1.704) 4.808 5.593 ( -0.249 -0.019 -0.815) 0.852 5.912 ( -0.899 -0.630 7.880) 7.956 6.151 ( 1.984 0.108 -0.999) 2.224 6.188 ( 4.332 -0.242 -6.025) 7.425 6.224 ( 1.232 -0.124 -3.061) 3.302 6.835 ( -2.412 0.013 13.196) 13.415 7.279 ( -2.966 0.672 -4.981) 5.836 7.324 ( 0.102 -0.072 4.560) 4.562 7.684 ( 3.607 0.584 -9.354) 10.042 7.702 ( -7.291 1.147 8.425) 11.200 8.080 ( -4.237 0.026 -5.802) 7.184 ======================= Grid point 428 (125/228) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 13.744 0.944 9.313) 16.629 1.733 ( 7.056 0.440 -11.418) 13.429 1.936 ( 14.789 -0.016 7.420) 16.546 2.467 ( 1.741 -0.070 -16.397) 16.490 3.208 ( 20.824 0.345 8.539) 22.510 3.483 ( 13.153 0.299 -4.843) 14.020 3.538 ( -6.083 -0.045 12.711) 14.091 3.878 ( 4.449 0.317 0.062) 4.461 3.914 ( 3.995 -0.345 8.069) 9.010 4.246 ( -3.638 -0.089 -6.530) 7.476 4.881 ( 1.743 -0.300 0.982) 2.023 5.175 ( -2.955 -0.227 -7.997) 8.528 5.473 ( -4.419 -0.087 -4.762) 6.497 5.527 ( -5.888 0.174 -4.683) 7.525 5.940 ( 2.721 -1.202 6.160) 6.841 6.185 ( -1.189 -0.416 -6.011) 6.141 6.211 ( 4.284 0.293 2.225) 4.836 6.328 ( 5.928 0.234 -2.803) 6.561 6.781 ( -2.651 -0.415 15.997) 16.220 7.221 ( -2.769 -0.200 -2.906) 4.019 7.333 ( 0.726 1.147 6.383) 6.526 7.522 ( -8.826 0.421 13.541) 16.169 7.757 ( 2.706 2.018 -13.253) 13.676 7.997 ( -4.440 -0.008 -8.150) 9.281 ======================= Grid point 429 (126/228) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 11.680 1.751 6.153) 13.317 1.830 ( 3.560 0.835 -8.304) 9.074 2.206 ( 13.013 0.131 2.788) 13.309 2.490 ( 0.800 0.047 -9.720) 9.753 3.404 ( -0.755 0.146 9.182) 9.214 3.581 ( 12.077 0.574 7.989) 14.492 3.655 ( 3.873 -0.123 -4.554) 5.980 3.945 ( 2.165 0.232 -3.306) 3.958 4.015 ( 6.253 -0.082 5.937) 8.623 4.202 ( -0.609 0.013 -4.821) 4.859 4.917 ( 1.884 -0.837 0.283) 2.081 5.114 ( -3.242 -0.822 -5.339) 6.300 5.387 ( -4.680 0.007 -5.942) 7.564 5.407 ( -5.885 0.029 -5.163) 7.829 6.003 ( 2.858 -1.241 2.381) 3.921 6.165 ( -1.052 -0.111 -5.644) 5.743 6.302 ( 5.236 0.487 3.720) 6.441 6.419 ( 3.680 0.368 -1.482) 3.985 6.762 ( 0.763 -0.712 18.533) 18.562 7.182 ( -1.694 -0.745 2.489) 3.102 7.325 ( -1.591 2.060 7.075) 7.539 7.366 ( -6.301 0.346 10.588) 12.326 7.777 ( 0.811 1.611 -12.836) 12.963 7.913 ( -4.389 -0.133 -10.179) 11.086 ======================= Grid point 430 (127/228) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 8.021 1.613 2.480) 8.549 1.854 ( -0.701 0.642 -4.809) 4.902 2.403 ( 7.363 0.125 0.481) 7.380 2.500 ( 0.258 0.096 -3.883) 3.893 3.411 ( 2.861 0.431 7.102) 7.668 3.628 ( -5.651 -0.478 -3.063) 6.445 3.781 ( 8.622 0.240 2.878) 9.093 3.960 ( -0.456 0.326 -3.013) 3.064 4.126 ( 4.777 -0.017 3.021) 5.652 4.206 ( 0.180 0.179 -2.517) 2.530 4.968 ( 2.924 -0.769 -1.837) 3.538 5.071 ( -1.866 -0.866 -4.741) 5.168 5.307 ( -3.252 0.096 -4.937) 5.912 5.320 ( -3.286 -0.109 -5.158) 6.116 6.056 ( 2.095 -0.976 -0.205) 2.320 6.144 ( -1.167 0.216 -4.416) 4.573 6.391 ( 4.139 0.419 3.266) 5.289 6.460 ( 0.827 0.326 0.149) 0.901 6.824 ( 5.225 -0.934 19.896) 20.592 7.131 ( -5.922 -0.327 18.702) 19.620 7.239 ( -1.903 0.707 -1.279) 2.399 7.318 ( -1.401 1.194 5.052) 5.377 7.780 ( 0.531 0.998 -12.732) 12.782 7.838 ( -3.520 -0.306 -11.741) 12.261 ======================= Grid point 431 (128/228) ======================= q-point: ( 0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -4.196 -0.310 -0.836) 4.290 1.808 ( 2.170 0.188 -1.717) 2.774 2.480 ( 0.051 0.104 -0.417) 0.433 2.493 ( -0.253 -0.132 -0.907) 0.951 3.486 ( -2.784 0.078 1.898) 3.371 3.522 ( 2.830 -0.048 0.650) 2.904 3.906 ( 4.079 -0.092 -0.167) 4.083 3.909 ( -4.499 0.078 -0.270) 4.508 4.185 ( 0.848 -0.024 -0.138) 0.860 4.192 ( -1.030 0.043 -0.379) 1.098 5.018 ( 0.802 0.331 -3.342) 3.452 5.053 ( 0.597 -0.333 -4.827) 4.875 5.274 ( -0.064 -0.063 -4.251) 4.251 5.289 ( 0.101 0.085 -4.898) 4.899 6.094 ( 1.256 -0.350 -1.630) 2.087 6.121 ( -0.783 0.264 -2.881) 2.997 6.442 ( -0.342 0.229 1.966) 2.009 6.450 ( 0.090 0.096 1.608) 1.613 6.960 ( 8.026 -1.075 20.030) 21.604 6.984 ( -7.869 0.808 20.676) 22.138 7.241 ( 0.544 -0.553 0.667) 1.023 7.280 ( -1.551 0.536 2.201) 2.746 7.781 ( -1.428 -0.178 -12.670) 12.751 7.801 ( 1.061 0.237 -12.448) 12.495 ======================= Grid point 432 (129/228) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -9.622 -2.206 3.136) 10.358 1.835 ( -0.464 -0.886 -5.450) 5.541 2.399 ( -7.553 -0.141 0.306) 7.561 2.497 ( -0.301 -0.150 -4.013) 4.027 3.400 ( -2.557 -0.452 7.563) 7.996 3.641 ( 5.426 0.551 -3.499) 6.480 3.773 ( -9.262 -0.356 3.038) 9.754 3.951 ( 0.191 -0.409 -3.238) 3.269 4.127 ( -4.814 0.050 2.846) 5.593 4.200 ( -0.129 -0.247 -2.168) 2.186 4.990 ( -2.031 1.057 -2.180) 3.162 5.094 ( 2.713 0.980 -5.269) 6.007 5.305 ( 3.218 -0.040 -4.452) 5.494 5.322 ( 3.330 0.093 -5.609) 6.524 6.084 ( -1.236 1.251 -0.647) 1.874 6.137 ( 1.521 -0.395 -3.324) 3.676 6.382 ( -4.547 -0.255 3.322) 5.637 6.455 ( -1.010 -0.040 -0.033) 1.011 6.848 ( -5.277 1.017 20.119) 20.825 7.127 ( 8.250 -0.801 19.470) 21.161 7.228 ( -1.037 -0.015 -1.682) 1.976 7.282 ( 0.772 -1.695 4.188) 4.584 7.755 ( -1.456 -0.986 -12.769) 12.890 7.846 ( 3.365 0.339 -11.716) 12.195 ======================= Grid point 433 (130/228) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -11.788 -3.020 6.952) 14.015 1.802 ( -3.612 -1.400 -8.923) 9.727 2.203 ( -12.877 -0.178 2.679) 13.153 2.488 ( -0.615 -0.064 -9.814) 9.833 3.399 ( 0.824 -0.245 9.328) 9.367 3.564 ( -12.233 -0.846 8.182) 14.741 3.657 ( -4.710 0.074 -4.731) 6.676 3.937 ( -1.808 -0.330 -3.680) 4.114 4.017 ( -6.070 0.102 5.950) 8.501 4.201 ( 0.841 -0.115 -4.319) 4.402 4.943 ( -2.150 1.287 -0.424) 2.542 5.141 ( 2.962 1.321 -6.040) 6.856 5.387 ( 4.949 0.053 -5.548) 7.435 5.406 ( 5.413 -0.111 -5.702) 7.863 6.045 ( -1.953 2.136 2.355) 3.732 6.169 ( 1.730 0.131 -4.190) 4.535 6.286 ( -5.439 -0.742 3.773) 6.661 6.410 ( -3.727 -0.255 -1.763) 4.130 6.785 ( -0.723 1.142 18.359) 18.409 7.205 ( 1.030 1.087 1.709) 2.273 7.267 ( 1.634 -2.770 6.268) 7.045 7.340 ( 5.968 -1.819 11.497) 13.081 7.731 ( -2.222 -2.031 -12.402) 12.762 7.917 ( 4.213 0.218 -10.241) 11.076 ======================= Grid point 434 (131/228) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -12.475 -2.198 9.907) 16.082 1.715 ( -6.498 -1.057 -11.846) 13.552 1.937 ( -14.488 0.084 7.527) 16.327 2.471 ( -1.462 0.192 -16.317) 16.384 3.194 ( -20.627 -0.826 8.537) 22.339 3.472 ( -13.181 -0.598 -4.682) 14.001 3.539 ( 5.953 0.008 12.318) 13.681 3.871 ( -4.715 -0.141 0.806) 4.785 3.921 ( -3.769 0.190 7.440) 8.343 4.249 ( 3.808 0.121 -5.906) 7.028 4.892 ( -2.631 0.616 0.121) 2.705 5.184 ( 1.715 0.486 -8.701) 8.881 5.477 ( 4.596 0.218 -4.840) 6.678 5.519 ( 5.689 -0.467 -4.768) 7.437 5.988 ( -2.263 2.690 6.402) 7.304 6.198 ( -3.503 -0.560 1.724) 3.944 6.202 ( 1.520 0.764 -4.028) 4.372 6.320 ( -5.862 -0.339 -3.182) 6.679 6.799 ( 2.311 1.085 15.737) 15.943 7.228 ( 1.521 0.275 -0.962) 1.821 7.289 ( 0.330 -2.247 3.642) 4.292 7.488 ( 7.198 -2.884 12.321) 14.558 7.692 ( -3.141 -2.670 -10.671) 11.440 7.998 ( 4.311 0.071 -8.341) 9.389 ======================= Grid point 435 (132/228) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -12.446 -0.253 11.993) 17.286 1.549 ( -11.870 -0.114 -5.860) 13.238 1.693 ( -10.089 0.185 4.995) 11.259 2.411 ( -5.437 0.415 -20.868) 21.569 2.746 ( -26.018 -0.228 13.931) 29.514 3.188 ( -15.282 -0.792 -6.443) 16.604 3.689 ( 8.163 -0.183 7.783) 11.280 3.790 ( -3.742 -0.443 3.672) 5.261 3.881 ( 0.720 0.445 12.638) 12.666 4.317 ( 2.759 0.244 -2.851) 3.975 4.844 ( -1.916 -0.318 -2.428) 3.109 5.182 ( -2.362 -1.050 -12.791) 13.050 5.560 ( 4.186 0.220 -1.977) 4.634 5.592 ( 1.131 -0.190 -1.195) 1.656 5.950 ( 0.395 2.410 8.006) 8.370 6.146 ( -1.892 -0.329 -0.562) 2.001 6.197 ( -6.450 0.227 -4.928) 8.121 6.237 ( 1.824 1.181 -3.570) 4.179 6.834 ( 1.006 -0.091 12.934) 12.973 7.235 ( -1.878 -2.954 0.879) 3.609 7.329 ( 3.244 0.341 -0.935) 3.394 7.585 ( -2.629 -6.544 -7.187) 10.069 7.702 ( 6.652 0.637 8.197) 10.576 8.079 ( 4.190 -0.032 -6.119) 7.416 ======================= Grid point 436 (133/228) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -11.440 1.573 13.768) 17.970 1.301 ( -12.862 0.656 8.757) 15.574 1.534 ( -7.575 0.180 -6.757) 10.153 2.221 ( -17.365 -0.107 -4.898) 18.043 2.259 ( -20.984 0.960 5.975) 21.840 2.962 ( -8.124 -0.622 -11.488) 14.085 3.738 ( -1.849 -0.670 6.150) 6.457 3.774 ( 0.784 -0.560 5.649) 5.730 4.015 ( 13.287 0.280 14.401) 19.596 4.330 ( -1.439 0.192 4.185) 4.430 4.850 ( 2.714 -0.912 -8.286) 8.767 5.104 ( -6.844 -2.553 -15.383) 17.029 5.550 ( -4.075 0.120 3.170) 5.164 5.638 ( 2.753 0.011 -0.989) 2.925 5.964 ( 1.301 1.371 9.336) 9.526 6.067 ( -5.855 0.443 -2.919) 6.558 6.136 ( -0.004 0.079 -4.899) 4.899 6.261 ( 1.251 1.618 -3.225) 3.819 6.824 ( -2.423 -1.818 9.087) 9.579 7.182 ( -7.722 -9.065 -1.859) 12.052 7.391 ( 3.585 1.882 -2.006) 4.518 7.547 ( -1.702 0.009 -9.285) 9.439 7.865 ( 8.839 -1.123 10.779) 13.985 8.155 ( 3.716 -0.058 -3.799) 5.314 ======================= Grid point 437 (134/228) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -7.730 2.329 16.212) 18.111 1.083 ( -9.067 1.042 18.497) 20.626 1.384 ( -8.007 0.049 -14.295) 16.385 1.853 ( -13.857 0.679 30.064) 33.110 1.969 ( -12.576 0.446 -18.170) 22.102 2.876 ( -2.175 -0.305 -16.587) 16.731 3.721 ( -0.454 -0.446 7.693) 7.719 3.781 ( 0.068 -0.488 7.983) 7.998 4.276 ( -2.456 -0.078 8.598) 8.942 4.327 ( 17.953 -0.979 8.273) 19.792 4.934 ( -0.342 -2.566 -11.638) 11.923 4.972 ( -4.202 -2.419 -13.668) 14.502 5.461 ( -4.604 -0.098 4.285) 6.291 5.632 ( -4.279 -0.779 -3.005) 5.287 5.967 ( 0.171 0.063 5.997) 6.000 5.999 ( -0.513 1.774 6.208) 6.477 6.133 ( -0.548 0.261 -4.630) 4.670 6.258 ( -0.645 1.374 -1.373) 2.047 6.783 ( -2.538 -2.323 4.072) 5.331 7.059 ( -10.715 -13.335 -5.774) 18.054 7.434 ( 2.251 2.747 -1.739) 3.954 7.527 ( 0.882 5.335 -5.329) 7.592 8.023 ( 6.238 -1.921 8.148) 10.440 8.214 ( 2.323 -0.009 -1.948) 3.032 ======================= Grid point 438 (135/228) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 1.867 18.356) 18.451 0.981 ( -0.000 0.949 23.593) 23.612 1.291 ( 0.000 -0.061 -14.720) 14.720 1.724 ( -0.000 0.670 31.740) 31.747 1.836 ( -0.000 0.273 -18.111) 18.113 2.859 ( 0.000 -0.128 -18.145) 18.146 3.720 ( 0.000 -0.181 8.157) 8.159 3.785 ( 0.000 -0.372 8.522) 8.530 4.244 ( -0.000 0.020 9.571) 9.571 4.635 ( -0.000 0.099 -8.941) 8.941 4.786 ( 0.000 -6.340 -0.621) 6.370 5.024 ( 0.000 -0.428 -11.701) 11.709 5.410 ( 0.000 -0.443 4.253) 4.276 5.560 ( 0.000 -0.280 -2.066) 2.085 5.982 ( -0.000 0.003 3.123) 3.123 5.987 ( -0.000 1.288 11.200) 11.274 6.122 ( -0.000 0.329 -3.006) 3.023 6.237 ( -0.000 0.934 0.436) 1.030 6.770 ( 0.000 -1.798 1.583) 2.396 7.011 ( 0.000 -11.864 -8.641) 14.677 7.439 ( -0.000 3.260 -1.253) 3.492 7.506 ( -0.000 5.240 -2.979) 6.027 8.098 ( 0.000 -1.865 6.449) 6.713 8.237 ( -0.000 0.035 -1.128) 1.129 ======================= Grid point 441 (136/228) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 13.917 -0.000 9.229) 16.700 1.736 ( 7.140 -0.000 -11.353) 13.411 1.936 ( 14.829 -0.000 7.403) 16.574 2.467 ( 1.779 -0.000 -16.409) 16.505 3.210 ( 20.855 -0.000 8.538) 22.535 3.485 ( 13.237 -0.000 -4.949) 14.132 3.537 ( -6.188 0.000 12.854) 14.266 3.880 ( 4.345 -0.000 -0.379) 4.362 3.911 ( 4.094 -0.000 8.491) 9.427 4.246 ( -3.616 0.000 -6.624) 7.547 4.879 ( 1.612 -0.000 1.111) 1.958 5.173 ( -3.139 0.000 -7.894) 8.495 5.473 ( -4.389 0.000 -4.758) 6.474 5.528 ( -5.913 0.000 -4.665) 7.531 5.932 ( 2.813 -0.000 6.139) 6.753 6.182 ( -1.066 0.000 -6.213) 6.304 6.213 ( 4.319 -0.000 2.231) 4.861 6.329 ( 5.948 -0.000 -2.767) 6.561 6.778 ( -2.703 0.000 16.040) 16.266 7.219 ( -2.909 0.000 -3.055) 4.218 7.339 ( 0.831 -0.000 6.625) 6.677 7.524 ( -8.860 0.000 13.472) 16.124 7.769 ( 2.398 -0.000 -13.396) 13.609 7.997 ( -4.464 0.000 -8.115) 9.262 ======================= Grid point 442 (137/228) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 11.647 0.613 5.976) 13.105 1.836 ( 3.549 0.295 -8.155) 8.898 2.207 ( 13.044 0.049 2.817) 13.345 2.490 ( 0.841 0.018 -9.694) 9.730 3.405 ( -0.716 0.052 9.141) 9.169 3.586 ( 12.033 0.210 7.986) 14.443 3.654 ( 3.654 -0.052 -4.564) 5.847 3.946 ( 2.223 0.085 -3.217) 3.912 4.014 ( 6.332 -0.030 5.937) 8.680 4.202 ( -0.543 -0.001 -4.945) 4.975 4.910 ( 1.828 -0.301 0.470) 1.911 5.108 ( -3.307 -0.293 -5.173) 6.147 5.387 ( -4.600 0.005 -6.064) 7.612 5.408 ( -6.008 0.008 -5.004) 7.819 5.993 ( 3.074 -0.435 2.380) 3.912 6.165 ( -0.895 -0.042 -5.992) 6.059 6.306 ( 5.218 0.175 3.726) 6.414 6.422 ( 3.686 0.150 -1.444) 3.961 6.756 ( 0.732 -0.258 18.606) 18.623 7.176 ( -1.840 -0.268 2.576) 3.177 7.344 ( -0.653 1.017 6.871) 6.976 7.366 ( -7.254 -0.196 10.791) 13.004 7.790 ( 0.376 0.607 -12.897) 12.916 7.912 ( -4.445 -0.050 -10.155) 11.086 ======================= Grid point 443 (138/228) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 7.520 0.868 2.286) 7.908 1.860 ( -1.098 0.344 -4.601) 4.743 2.404 ( 7.302 0.071 0.533) 7.321 2.501 ( 0.225 0.048 -3.838) 3.845 3.415 ( 2.999 0.255 6.945) 7.570 3.624 ( -5.752 -0.275 -2.904) 6.450 3.783 ( 8.416 0.124 2.812) 8.875 3.963 ( -0.539 0.181 -2.954) 3.008 4.126 ( 4.767 -0.004 3.088) 5.680 4.207 ( 0.214 0.097 -2.624) 2.635 4.961 ( 3.298 -0.413 -1.746) 3.754 5.063 ( -1.667 -0.494 -4.552) 4.873 5.308 ( -3.325 0.077 -5.250) 6.216 5.319 ( -3.203 -0.079 -4.854) 5.817 6.048 ( 2.343 -0.535 -0.091) 2.405 6.146 ( -1.062 0.103 -4.775) 4.893 6.395 ( 4.045 0.265 3.273) 5.210 6.463 ( 0.759 0.240 0.194) 0.819 6.816 ( 5.190 -0.547 19.869) 20.543 7.127 ( -5.048 -0.302 17.607) 18.319 7.246 ( -3.021 0.471 -0.271) 3.070 7.328 ( -1.505 0.628 5.270) 5.517 7.789 ( 0.217 0.614 -12.706) 12.723 7.835 ( -3.609 -0.198 -11.752) 12.295 ======================= Grid point 444 (139/228) ======================= q-point: ( 0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -6.119 -0.308 -0.715) 6.168 1.810 ( 2.467 0.156 -1.821) 3.070 2.481 ( 0.207 0.192 -0.496) 0.571 2.491 ( -0.567 -0.226 -0.841) 1.039 3.487 ( -5.287 0.101 1.893) 5.617 3.521 ( 5.367 -0.064 0.676) 5.410 3.905 ( 4.338 -0.076 -0.306) 4.349 3.910 ( -5.093 0.059 -0.140) 5.095 4.184 ( 1.347 -0.026 -0.019) 1.347 4.192 ( -1.678 0.049 -0.488) 1.748 5.023 ( 1.538 0.593 -3.590) 3.950 5.048 ( 0.983 -0.595 -4.601) 4.743 5.273 ( -0.113 -0.067 -4.284) 4.286 5.290 ( 0.179 0.095 -4.866) 4.871 6.090 ( 1.849 -0.348 -1.496) 2.404 6.124 ( -1.004 0.240 -3.058) 3.227 6.446 ( -0.678 0.329 1.937) 2.079 6.451 ( 0.229 0.078 1.673) 1.691 6.949 ( 8.087 -0.825 19.613) 21.231 6.992 ( -7.777 0.485 21.119) 22.511 7.234 ( 0.408 -0.510 0.142) 0.668 7.287 ( -2.251 0.492 2.715) 3.561 7.778 ( -2.112 -0.170 -12.655) 12.831 7.804 ( 1.449 0.244 -12.467) 12.553 ======================= Grid point 445 (140/228) ======================= q-point: (-0.57 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -10.420 -1.847 3.482) 11.141 1.826 ( -0.995 -0.743 -5.759) 5.891 2.398 ( -7.645 -0.106 0.217) 7.648 2.495 ( -0.291 -0.130 -4.069) 4.081 3.396 ( -2.459 -0.337 7.774) 8.161 3.647 ( 5.360 0.433 -3.685) 6.519 3.769 ( -9.581 -0.304 3.093) 10.073 3.946 ( 0.062 -0.330 -3.362) 3.379 4.127 ( -4.842 0.047 2.774) 5.580 4.198 ( -0.127 -0.211 -1.995) 2.010 5.001 ( -1.745 0.887 -2.374) 3.077 5.104 ( 3.244 0.745 -5.496) 6.425 5.305 ( 3.276 -0.016 -4.345) 5.441 5.323 ( 3.268 0.075 -5.702) 6.573 6.097 ( -0.796 1.034 -0.916) 1.594 6.132 ( 1.721 -0.396 -2.808) 3.317 6.380 ( -4.800 -0.074 3.384) 5.873 6.455 ( -1.079 0.096 -0.107) 1.089 6.859 ( -5.259 0.775 20.291) 20.976 7.116 ( 8.403 -1.082 18.054) 19.943 7.230 ( -1.263 0.214 0.136) 1.289 7.264 ( 0.147 -1.372 3.493) 3.755 7.745 ( -1.831 -0.713 -12.777) 12.927 7.849 ( 3.304 0.272 -11.705) 12.165 ======================= Grid point 446 (141/228) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -11.827 -2.831 7.457) 14.265 1.787 ( -3.645 -1.293 -9.276) 10.050 2.201 ( -12.794 -0.145 2.622) 13.060 2.487 ( -0.501 -0.053 -9.856) 9.869 3.396 ( 0.796 -0.226 9.392) 9.428 3.554 ( -12.264 -0.732 8.360) 14.860 3.658 ( -5.180 0.010 -4.915) 7.141 3.934 ( -1.535 -0.273 -3.902) 4.202 4.018 ( -6.051 0.073 5.970) 8.500 4.199 ( 0.952 -0.146 -4.046) 4.159 4.957 ( -2.318 1.131 -0.779) 2.694 5.155 ( 2.788 1.190 -6.451) 7.128 5.388 ( 5.089 0.105 -5.356) 7.389 5.404 ( 5.135 -0.159 -5.968) 7.875 6.069 ( -1.419 1.991 2.310) 3.363 6.170 ( 2.129 0.092 -3.380) 3.996 6.278 ( -5.668 -0.633 3.875) 6.895 6.408 ( -3.768 -0.055 -1.957) 4.246 6.798 ( -0.575 1.075 18.340) 18.381 7.216 ( 0.501 0.705 -0.181) 0.884 7.236 ( 1.586 -2.416 6.854) 7.438 7.317 ( 5.758 -1.916 12.165) 13.594 7.710 ( -2.724 -1.566 -12.018) 12.422 7.920 ( 4.137 0.207 -10.254) 11.059 ======================= Grid point 447 (142/228) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -11.552 -2.236 10.306) 15.642 1.702 ( -6.146 -1.104 -12.110) 13.625 1.938 ( -14.268 0.114 7.591) 16.162 2.473 ( -1.260 0.215 -16.260) 16.310 3.184 ( -20.520 -0.863 8.534) 22.241 3.465 ( -13.536 -0.572 -4.882) 14.401 3.538 ( 6.203 -0.035 12.388) 13.854 3.871 ( -4.693 0.088 0.658) 4.740 3.922 ( -3.821 -0.048 7.654) 8.555 4.250 ( 3.932 0.076 -5.517) 6.775 4.900 ( -3.197 0.592 -0.423) 3.278 5.189 ( 0.914 0.456 -9.151) 9.208 5.479 ( 4.684 0.261 -4.934) 6.808 5.513 ( 5.528 -0.554 -4.785) 7.332 6.019 ( -2.138 2.671 6.660) 7.488 6.190 ( -3.839 -0.748 2.227) 4.501 6.212 ( 2.526 0.823 -3.426) 4.336 6.317 ( -5.787 -0.109 -3.573) 6.802 6.812 ( 2.086 1.229 15.621) 15.807 7.228 ( 0.061 -0.209 2.361) 2.371 7.266 ( 1.868 -1.690 -0.257) 2.532 7.447 ( 4.667 -4.140 9.819) 11.633 7.668 ( -1.825 -1.493 -7.481) 7.844 7.999 ( 4.248 0.106 -8.424) 9.435 ======================= Grid point 448 (143/228) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -11.021 -0.178 11.889) 16.212 1.548 ( -11.183 -0.204 -7.119) 13.258 1.696 ( -10.106 0.304 6.334) 11.931 2.417 ( -5.312 0.532 -20.667) 21.345 2.743 ( -25.592 -0.382 13.631) 28.998 3.178 ( -15.368 -0.912 -6.449) 16.691 3.687 ( 7.674 -0.174 7.658) 10.843 3.786 ( -3.862 -0.161 3.721) 5.366 3.885 ( 0.994 0.174 12.894) 12.933 4.319 ( 2.777 0.228 -2.286) 3.604 4.840 ( -2.452 -0.340 -3.140) 3.999 5.170 ( -3.383 -1.069 -12.864) 13.344 5.562 ( 3.809 0.169 -2.115) 4.360 5.589 ( 1.673 -0.395 -1.455) 2.252 5.979 ( 0.016 2.501 8.040) 8.420 6.142 ( -1.644 -0.280 -0.198) 1.679 6.197 ( -6.597 -0.209 -4.251) 7.850 6.254 ( 2.499 1.738 -3.685) 4.780 6.832 ( -0.239 -0.142 12.670) 12.673 7.197 ( -5.003 -3.526 2.888) 6.768 7.334 ( 4.406 0.430 -2.496) 5.082 7.509 ( -0.537 -6.284 -5.451) 8.336 7.710 ( 6.271 0.701 7.448) 9.761 8.079 ( 4.170 0.025 -6.319) 7.571 ======================= Grid point 449 (144/228) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -10.169 2.211 12.925) 16.594 1.310 ( -12.435 0.768 7.663) 14.626 1.538 ( -7.491 0.369 -5.476) 9.287 2.222 ( -17.805 0.274 -2.751) 18.018 2.269 ( -20.210 0.647 3.616) 20.541 2.954 ( -8.008 -0.843 -11.417) 13.971 3.731 ( -1.855 -0.593 6.294) 6.588 3.766 ( 0.673 -0.778 5.518) 5.613 4.019 ( 12.662 0.322 14.639) 19.358 4.332 ( -1.508 0.175 4.727) 4.965 4.838 ( 2.358 -1.084 -9.004) 9.371 5.072 ( -7.878 -2.758 -14.808) 16.999 5.550 ( -4.052 -0.214 2.859) 4.963 5.637 ( 2.134 -0.149 -1.262) 2.484 5.982 ( 0.617 1.675 9.009) 9.185 6.072 ( -5.093 0.476 -2.074) 5.520 6.137 ( 0.131 0.062 -4.773) 4.776 6.282 ( 1.402 2.003 -2.971) 3.847 6.801 ( -3.444 -2.233 8.423) 9.370 7.071 ( -11.790 -9.788 0.767) 15.342 7.412 ( 4.209 1.744 -1.935) 4.950 7.547 ( 2.681 0.129 -7.854) 8.300 7.854 ( 8.100 -0.676 10.236) 13.071 8.155 ( 3.747 0.010 -4.133) 5.579 ======================= Grid point 450 (145/228) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -7.014 3.750 14.661) 16.680 1.098 ( -8.683 1.458 17.717) 19.784 1.386 ( -8.111 0.256 -13.582) 15.822 1.862 ( -13.560 0.776 29.209) 32.212 1.975 ( -12.649 0.610 -17.634) 21.710 2.871 ( -2.070 -0.537 -16.477) 16.615 3.715 ( -0.339 -0.614 7.757) 7.789 3.774 ( 0.011 -0.791 7.853) 7.893 4.275 ( -1.191 -0.159 8.903) 8.984 4.314 ( 15.309 -1.241 9.522) 18.071 4.897 ( -7.851 -3.648 -11.855) 14.680 4.944 ( 1.942 -2.363 -12.608) 12.973 5.458 ( -5.028 -0.441 4.028) 6.458 5.621 ( -4.425 -1.006 -2.780) 5.321 5.970 ( 0.033 0.473 5.134) 5.156 6.020 ( -0.353 1.787 7.239) 7.465 6.137 ( -0.354 0.391 -4.581) 4.611 6.278 ( -0.732 1.862 -1.063) 2.265 6.751 ( -2.899 -3.227 3.254) 5.423 6.906 ( -11.013 -12.689 -0.444) 16.808 7.464 ( 2.501 2.577 -1.221) 3.793 7.587 ( 2.486 4.799 -6.451) 8.416 7.999 ( 5.757 -1.973 8.133) 10.158 8.214 ( 2.387 0.063 -2.405) 3.389 ======================= Grid point 451 (146/228) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -0.000 3.725 16.678) 17.089 0.996 ( -0.000 1.687 23.074) 23.135 1.290 ( -0.000 0.005 -14.611) 14.611 1.734 ( -0.000 1.019 31.398) 31.415 1.840 ( -0.000 0.491 -17.972) 17.978 2.857 ( 0.000 -0.322 -18.057) 18.060 3.716 ( 0.000 -0.410 8.166) 8.176 3.779 ( 0.000 -0.704 8.498) 8.527 4.244 ( -0.000 0.037 9.599) 9.600 4.636 ( -0.000 0.183 -8.971) 8.973 4.694 ( 0.000 -8.895 4.293) 9.877 5.013 ( 0.000 -1.481 -12.335) 12.424 5.403 ( 0.000 -0.795 4.257) 4.330 5.555 ( 0.000 -0.506 -2.216) 2.274 5.982 ( -0.000 0.025 3.325) 3.325 6.006 ( -0.000 1.878 11.012) 11.171 6.127 ( -0.000 0.567 -3.075) 3.127 6.252 ( -0.000 1.548 0.754) 1.722 6.741 ( 0.000 -3.187 0.824) 3.292 6.862 ( 0.000 -12.830 -2.026) 12.989 7.473 ( -0.000 2.788 -1.165) 3.022 7.578 ( -0.000 6.427 -5.400) 8.395 8.071 ( 0.000 -2.509 6.721) 7.174 8.237 ( -0.000 0.089 -1.605) 1.608 ======================= Grid point 456 (147/228) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 7.344 -0.000 2.219) 7.672 1.862 ( -1.242 0.000 -4.526) 4.694 2.404 ( 7.279 -0.000 0.552) 7.300 2.501 ( 0.210 -0.000 -3.822) 3.828 3.417 ( 3.054 -0.000 6.889) 7.536 3.622 ( -5.792 0.000 -2.846) 6.454 3.783 ( 8.343 -0.000 2.786) 8.796 3.964 ( -0.569 0.000 -2.935) 2.990 4.126 ( 4.764 -0.000 3.113) 5.691 4.208 ( 0.229 -0.000 -2.662) 2.672 4.958 ( 3.441 -0.000 -1.716) 3.845 5.060 ( -1.605 0.000 -4.483) 4.762 5.308 ( -3.367 0.000 -5.410) 6.372 5.318 ( -3.158 0.000 -4.698) 5.661 6.044 ( 2.427 -0.000 -0.054) 2.428 6.147 ( -1.026 0.000 -4.903) 5.009 6.396 ( 4.017 -0.000 3.279) 5.185 6.465 ( 0.734 -0.000 0.206) 0.762 6.812 ( 5.177 -0.000 19.866) 20.529 7.125 ( -4.767 0.000 17.200) 17.848 7.249 ( -3.393 0.000 0.106) 3.394 7.332 ( -1.532 0.000 5.343) 5.559 7.793 ( 0.116 -0.000 -12.695) 12.696 7.834 ( -3.658 0.000 -11.756) 12.312 ======================= Grid point 457 (148/228) ======================= q-point: ( 0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -6.889 -0.123 -0.631) 6.919 1.811 ( 2.333 0.055 -1.891) 3.004 2.484 ( 0.900 0.211 -0.601) 1.102 2.488 ( -1.347 -0.226 -0.746) 1.557 3.488 ( -6.905 0.047 1.889) 7.159 3.520 ( 7.004 -0.030 0.696) 7.038 3.905 ( 4.325 -0.029 -0.366) 4.340 3.910 ( -5.265 0.021 -0.087) 5.266 4.184 ( 1.540 -0.011 0.062) 1.541 4.193 ( -1.957 0.021 -0.562) 2.036 5.031 ( 2.516 0.697 -3.959) 4.742 5.040 ( 0.629 -0.698 -4.250) 4.353 5.272 ( -0.140 -0.027 -4.304) 4.306 5.291 ( 0.223 0.039 -4.848) 4.854 6.087 ( 2.070 -0.137 -1.410) 2.508 6.126 ( -1.022 0.089 -3.177) 3.339 6.449 ( -1.391 0.231 1.887) 2.355 6.452 ( 0.838 -0.048 1.751) 1.942 6.942 ( 8.066 -0.310 19.414) 21.025 6.996 ( -7.651 0.156 21.333) 22.664 7.230 ( 0.188 -0.192 -0.160) 0.313 7.291 ( -2.514 0.186 3.016) 3.930 7.777 ( -2.357 -0.064 -12.648) 12.866 7.806 ( 1.529 0.097 -12.476) 12.570 ======================= Grid point 458 (149/228) ======================= q-point: (-0.64 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -10.988 -1.055 3.735) 11.653 1.819 ( -1.354 -0.425 -5.974) 6.141 2.397 ( -7.709 -0.056 0.153) 7.711 2.494 ( -0.274 -0.076 -4.105) 4.115 3.393 ( -2.405 -0.178 7.918) 8.277 3.651 ( 5.331 0.238 -3.809) 6.556 3.767 ( -9.814 -0.176 3.126) 10.301 3.943 ( -0.028 -0.184 -3.452) 3.457 4.128 ( -4.867 0.029 2.727) 5.579 4.196 ( -0.132 -0.122 -1.873) 1.882 5.010 ( -1.605 0.508 -2.518) 3.029 5.111 ( 3.666 0.397 -5.644) 6.742 5.304 ( 3.345 -0.004 -4.304) 5.451 5.324 ( 3.194 0.044 -5.736) 6.565 6.107 ( -0.561 0.634 -1.136) 1.417 6.128 ( 1.949 -0.303 -2.442) 3.139 6.380 ( -4.992 0.018 3.436) 6.060 6.456 ( -1.118 0.101 -0.143) 1.131 6.866 ( -5.223 0.417 20.438) 21.099 7.105 ( 8.181 -0.738 16.859) 18.754 7.232 ( -0.626 0.038 2.073) 2.166 7.252 ( -0.802 -0.635 2.523) 2.722 7.739 ( -2.065 -0.368 -12.782) 12.953 7.852 ( 3.261 0.152 -11.696) 12.143 ======================= Grid point 459 (150/228) ======================= q-point: (-0.57 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -11.844 -2.022 7.894) 14.377 1.774 ( -3.674 -0.913 -9.564) 10.286 2.199 ( -12.724 -0.092 2.580) 12.983 2.487 ( -0.404 -0.034 -9.886) 9.894 3.394 ( 0.736 -0.160 9.433) 9.464 3.547 ( -12.248 -0.490 8.529) 14.933 3.658 ( -5.570 -0.024 -5.092) 7.547 3.931 ( -1.280 -0.174 -4.088) 4.288 4.019 ( -6.072 0.038 5.994) 8.532 4.198 ( 1.034 -0.123 -3.832) 3.971 4.968 ( -2.458 0.766 -1.043) 2.778 5.167 ( 2.635 0.822 -6.791) 7.331 5.389 ( 5.246 0.134 -5.151) 7.354 5.402 ( 4.851 -0.173 -6.228) 7.896 6.089 ( -0.963 1.407 2.247) 2.821 6.171 ( 2.459 0.047 -2.748) 3.688 6.272 ( -5.931 -0.405 4.011) 7.171 6.409 ( -3.792 0.063 -2.106) 4.338 6.809 ( -0.373 0.793 18.375) 18.396 7.209 ( 1.221 -1.682 0.398) 2.116 7.225 ( 0.283 0.191 5.061) 5.072 7.298 ( 5.560 -1.303 12.725) 13.948 7.695 ( -2.986 -0.947 -11.649) 12.063 7.922 ( 4.085 0.150 -10.254) 11.039 ======================= Grid point 460 (151/228) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -10.645 -1.814 10.664) 15.177 1.690 ( -5.837 -0.920 -12.337) 13.679 1.939 ( -14.056 0.111 7.648) 16.002 2.475 ( -1.064 0.190 -16.205) 16.241 3.174 ( -20.448 -0.722 8.534) 22.169 3.459 ( -13.992 -0.447 -5.177) 14.926 3.538 ( 6.565 -0.053 12.579) 14.189 3.873 ( -4.562 0.246 0.198) 4.572 3.920 ( -3.980 -0.220 8.168) 9.089 4.251 ( 4.050 0.031 -5.182) 6.577 4.906 ( -3.688 0.465 -0.906) 3.826 5.194 ( 0.195 0.337 -9.543) 9.551 5.483 ( 4.740 0.300 -5.057) 6.938 5.507 ( 5.365 -0.574 -4.756) 7.193 6.047 ( -2.184 2.114 6.967) 7.601 6.182 ( -3.621 -0.626 2.219) 4.292 6.220 ( 2.735 0.534 -2.385) 3.668 6.318 ( -5.530 0.162 -3.975) 6.813 6.826 ( 1.848 1.123 15.594) 15.743 7.222 ( -0.955 -0.794 5.324) 5.466 7.252 ( 3.289 -0.709 -3.486) 4.845 7.399 ( 2.038 -3.953 7.154) 8.424 7.656 ( -0.363 -0.633 -4.667) 4.724 8.000 ( 4.203 0.109 -8.474) 9.460 ======================= Grid point 461 (152/228) ======================= q-point: (-0.43 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -9.497 -0.041 11.695) 15.065 1.545 ( -10.502 -0.253 -8.258) 13.362 1.700 ( -10.077 0.361 7.570) 12.609 2.423 ( -5.130 0.551 -20.530) 21.169 2.738 ( -25.264 -0.478 13.422) 28.612 3.168 ( -15.474 -0.853 -6.467) 16.793 3.685 ( 7.193 -0.140 7.584) 10.454 3.786 ( -4.001 0.122 3.489) 5.310 3.885 ( 1.323 -0.094 13.399) 13.464 4.322 ( 2.788 0.170 -1.735) 3.288 4.836 ( -2.956 -0.280 -3.846) 4.859 5.158 ( -4.288 -0.915 -12.953) 13.675 5.564 ( 3.196 0.087 -2.072) 3.810 5.584 ( 2.265 -0.497 -1.801) 2.936 6.006 ( -0.341 2.045 7.917) 8.184 6.139 ( -1.298 -0.158 0.291) 1.339 6.193 ( -6.331 -0.416 -3.785) 7.388 6.275 ( 2.587 1.789 -3.524) 4.724 6.830 ( -1.567 -0.174 12.356) 12.456 7.157 ( -8.383 -3.402 4.304) 10.018 7.339 ( 5.305 0.499 -3.343) 6.290 7.444 ( 2.340 -4.856 -4.585) 7.077 7.718 ( 6.149 0.610 7.131) 9.435 8.079 ( 4.164 0.074 -6.478) 7.701 ======================= Grid point 462 (153/228) ======================= q-point: (-0.36 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -8.636 2.509 11.898) 14.914 1.318 ( -11.963 0.706 6.378) 13.576 1.543 ( -7.339 0.536 -3.962) 8.357 2.227 ( -18.334 0.569 -0.539) 18.350 2.273 ( -19.404 0.179 1.219) 19.444 2.944 ( -7.907 -0.921 -11.371) 13.880 3.725 ( -1.908 -0.343 6.321) 6.612 3.757 ( 0.440 -0.856 5.566) 5.649 4.022 ( 12.200 0.284 14.830) 19.205 4.334 ( -1.599 0.112 5.293) 5.530 4.826 ( 1.988 -1.016 -9.734) 9.986 5.042 ( -8.783 -2.412 -14.344) 16.992 5.546 ( -4.112 -0.522 2.760) 4.980 5.634 ( 1.539 -0.292 -1.561) 2.212 6.001 ( -0.006 1.704 8.460) 8.630 6.077 ( -4.488 0.255 -1.210) 4.656 6.138 ( 0.365 0.035 -4.340) 4.355 6.306 ( 1.476 2.003 -2.722) 3.688 6.775 ( -4.441 -2.163 7.723) 9.167 6.964 ( -14.095 -8.499 3.094) 16.748 7.431 ( 4.790 1.554 -1.924) 5.391 7.550 ( 6.084 0.215 -6.739) 9.082 7.849 ( 7.328 -0.240 9.608) 12.086 8.155 ( 3.797 0.095 -4.446) 5.848 ======================= Grid point 463 (154/228) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -6.010 4.659 12.743) 14.840 1.116 ( -8.202 1.546 16.704) 18.673 1.390 ( -8.229 0.539 -12.578) 15.040 1.869 ( -13.319 0.571 28.458) 31.426 1.982 ( -12.684 0.622 -17.200) 21.380 2.864 ( -1.973 -0.725 -16.374) 16.508 3.708 ( -0.330 -0.600 7.784) 7.814 3.763 ( -0.044 -1.010 7.791) 7.856 4.272 ( 1.446 -0.250 9.548) 9.660 4.300 ( 10.948 -1.094 10.460) 15.181 4.856 ( -10.943 -3.296 -11.397) 16.140 4.918 ( 4.201 -2.115 -12.563) 13.415 5.451 ( -5.400 -0.765 3.932) 6.724 5.610 ( -4.476 -1.006 -2.666) 5.306 5.977 ( -0.323 0.677 4.372) 4.436 6.038 ( -0.186 1.362 8.486) 8.597 6.142 ( -0.122 0.444 -4.500) 4.524 6.300 ( -0.922 1.909 -0.665) 2.222 6.710 ( -3.770 -3.814 2.769) 6.035 6.777 ( -9.672 -9.380 1.851) 13.600 7.494 ( 2.835 2.439 -0.669) 3.799 7.637 ( 3.869 3.822 -6.612) 8.561 7.979 ( 5.222 -1.564 8.098) 9.761 8.216 ( 2.464 0.177 -2.889) 3.801 ======================= Grid point 464 (155/228) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -0.000 5.210 14.340) 15.257 1.018 ( -0.000 2.064 22.359) 22.454 1.292 ( -0.000 0.200 -14.291) 14.293 1.746 ( -0.000 0.925 30.891) 30.905 1.847 ( -0.000 0.611 -17.771) 17.782 2.852 ( 0.000 -0.559 -17.935) 17.944 3.710 ( 0.000 -0.607 8.199) 8.222 3.769 ( 0.000 -0.968 8.463) 8.519 4.245 ( -0.000 0.047 9.641) 9.641 4.594 ( 0.000 -8.150 8.790) 11.987 4.639 ( -0.000 0.235 -9.017) 9.020 4.992 ( 0.000 -2.147 -12.788) 12.967 5.392 ( 0.000 -0.988 4.268) 4.381 5.548 ( 0.000 -0.634 -2.425) 2.507 5.983 ( -0.000 0.060 3.595) 3.596 6.027 ( -0.000 1.731 11.252) 11.384 6.134 ( -0.000 0.668 -3.167) 3.237 6.271 ( -0.000 1.699 1.212) 2.087 6.694 ( 0.000 -5.500 0.809) 5.559 6.736 ( 0.000 -8.062 -0.110) 8.063 7.505 ( -0.000 2.827 -0.460) 2.864 7.646 ( -0.000 5.362 -6.185) 8.186 8.043 ( 0.000 -2.276 6.869) 7.236 8.239 ( -0.000 0.197 -2.180) 2.189 ======================= Grid point 471 (156/228) ======================= q-point: (-0.71 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -11.193 0.000 3.828) 11.830 1.816 ( -1.481 0.000 -6.052) 6.230 2.397 ( -7.732 0.000 0.130) 7.733 2.493 ( -0.266 0.000 -4.118) 4.126 3.391 ( -2.388 0.000 7.969) 8.319 3.652 ( 5.325 -0.000 -3.852) 6.572 3.766 ( -9.901 0.000 3.136) 10.386 3.942 ( -0.060 0.000 -3.485) 3.486 4.128 ( -4.877 0.000 2.710) 5.580 4.195 ( -0.135 0.000 -1.830) 1.835 5.013 ( -1.569 0.000 -2.571) 3.012 5.113 ( 3.829 -0.000 -5.695) 6.863 5.304 ( 3.375 -0.000 -4.296) 5.463 5.324 ( 3.160 -0.000 -5.742) 6.554 6.111 ( -0.589 0.000 -1.222) 1.357 6.126 ( 2.145 -0.000 -2.309) 3.152 6.380 ( -5.063 0.000 3.456) 6.130 6.457 ( -1.129 0.000 -0.152) 1.139 6.868 ( -5.204 0.000 20.497) 21.147 7.100 ( 8.059 -0.000 16.436) 18.305 7.232 ( -0.131 0.000 2.940) 2.943 7.249 ( -1.377 0.000 1.991) 2.421 7.737 ( -2.144 0.000 -12.784) 12.963 7.853 ( 3.246 -0.000 -11.693) 12.135 ======================= Grid point 473 (157/228) ======================= q-point: (-0.64 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -11.848 -0.735 8.150) 14.400 1.766 ( -3.691 -0.330 -9.726) 10.408 2.199 ( -12.685 -0.031 2.557) 12.940 2.487 ( -0.348 -0.012 -9.901) 9.907 3.393 ( 0.687 -0.058 9.452) 9.477 3.543 ( -12.221 -0.172 8.632) 14.963 3.657 ( -5.794 -0.014 -5.200) 7.785 3.930 ( -1.126 -0.059 -4.196) 4.345 4.019 ( -6.097 0.011 6.010) 8.561 4.197 ( 1.077 -0.048 -3.716) 3.869 4.974 ( -2.538 0.270 -1.181) 2.812 5.174 ( 2.545 0.293 -6.985) 7.440 5.391 ( 5.419 0.074 -4.931) 7.327 5.401 ( 4.601 -0.089 -6.477) 7.945 6.100 ( -0.698 0.506 2.199) 2.362 6.171 ( 2.647 0.013 -2.412) 3.581 6.269 ( -6.115 -0.135 4.114) 7.372 6.409 ( -3.797 0.043 -2.180) 4.379 6.815 ( -0.220 0.297 18.421) 18.425 7.195 ( 1.362 -0.663 1.479) 2.117 7.226 ( -0.209 0.006 3.460) 3.466 7.289 ( 5.419 -0.401 12.823) 13.927 7.688 ( -3.081 -0.313 -11.427) 11.840 7.923 ( 4.058 0.055 -10.250) 11.025 ======================= Grid point 474 (158/228) ======================= q-point: (-0.57 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -9.969 -1.013 10.907) 14.811 1.682 ( -5.628 -0.524 -12.489) 13.709 1.940 ( -13.903 0.069 7.686) 15.886 2.477 ( -0.920 0.112 -16.166) 16.192 3.168 ( -20.414 -0.413 8.536) 22.131 3.455 ( -14.366 -0.245 -5.429) 15.359 3.537 ( 6.875 -0.038 12.764) 14.498 3.876 ( -4.379 0.227 -0.475) 4.410 3.918 ( -4.183 -0.215 8.874) 9.813 4.251 ( 4.136 0.007 -4.957) 6.456 4.910 ( -4.015 0.256 -1.238) 4.209 5.197 ( -0.305 0.174 -9.804) 9.810 5.486 ( 4.747 0.310 -5.230) 7.069 5.501 ( 5.261 -0.478 -4.640) 7.031 6.066 ( -2.339 1.152 7.221) 7.677 6.176 ( -3.407 -0.349 2.223) 4.083 6.224 ( 2.670 0.229 -1.717) 3.183 6.320 ( -5.160 0.212 -4.216) 6.667 6.837 ( 1.635 0.689 15.653) 15.754 7.215 ( -0.233 -0.369 3.933) 3.957 7.246 ( 3.169 -0.534 -1.526) 3.557 7.362 ( 0.181 -2.299 4.732) 5.264 7.651 ( 0.541 -0.213 -3.052) 3.107 8.001 ( 4.178 0.069 -8.497) 9.469 ======================= Grid point 475 (159/228) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -8.200 0.050 11.459) 14.091 1.542 ( -9.965 -0.213 -9.064) 13.472 1.704 ( -10.017 0.296 8.469) 13.121 2.429 ( -4.930 0.428 -20.478) 21.068 2.733 ( -25.087 -0.415 13.335) 28.414 3.159 ( -15.575 -0.608 -6.491) 16.884 3.683 ( 6.811 -0.090 7.563) 10.178 3.788 ( -4.158 0.240 3.057) 5.167 3.883 ( 1.660 -0.209 14.025) 14.124 4.323 ( 2.793 0.099 -1.303) 3.083 4.834 ( -3.337 -0.173 -4.414) 5.536 5.149 ( -4.952 -0.622 -13.022) 13.945 5.564 ( 2.260 0.018 -1.666) 2.808 5.578 ( 3.079 -0.409 -2.379) 3.913 6.025 ( -0.587 1.258 7.580) 7.706 6.138 ( -0.988 -0.031 0.908) 1.342 6.188 ( -6.168 -0.371 -3.450) 7.077 6.293 ( 2.578 1.337 -3.323) 4.413 6.829 ( -2.663 -0.153 12.067) 12.359 7.122 ( -11.226 -2.453 5.227) 12.624 7.345 ( 6.155 0.624 -3.741) 7.229 7.398 ( 4.907 -3.167 -4.274) 7.238 7.724 ( 6.116 0.410 6.987) 9.295 8.080 ( 4.168 0.078 -6.580) 7.789 ======================= Grid point 476 (160/228) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -7.159 2.239 10.878) 13.214 1.326 ( -11.540 0.519 5.196) 12.666 1.549 ( -7.151 0.553 -2.545) 7.611 2.235 ( -19.296 0.751 2.855) 19.520 2.273 ( -18.282 -0.286 -2.290) 18.427 2.933 ( -7.840 -0.797 -11.362) 13.827 3.723 ( -1.968 -0.039 6.214) 6.518 3.747 ( 0.138 -0.805 5.784) 5.841 4.025 ( 11.948 0.199 14.954) 19.142 4.334 ( -1.690 0.050 5.774) 6.016 4.816 ( 1.665 -0.759 -10.342) 10.503 5.018 ( -9.410 -1.748 -14.012) 16.968 5.539 ( -4.218 -0.605 2.826) 5.113 5.631 ( 1.080 -0.311 -1.825) 2.143 6.020 ( -0.294 1.547 7.924) 8.079 6.077 ( -4.267 -0.194 -0.736) 4.335 6.138 ( 0.616 0.056 -3.545) 3.599 6.327 ( 1.460 1.619 -2.542) 3.349 6.753 ( -5.204 -1.613 7.084) 8.936 6.880 ( -15.068 -6.046 4.610) 16.878 7.447 ( 5.204 1.184 -1.960) 5.685 7.552 ( 8.457 0.221 -5.961) 10.349 7.848 ( 6.715 -0.008 9.136) 11.338 8.157 ( 3.856 0.133 -4.684) 6.068 ======================= Grid point 477 (161/228) ======================= q-point: (-0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -4.917 4.626 10.853) 12.781 1.133 ( -7.715 1.324 15.667) 17.514 1.398 ( -8.343 0.712 -11.443) 14.180 1.874 ( -13.221 0.238 28.104) 31.060 1.989 ( -12.655 0.507 -17.070) 21.255 2.855 ( -1.909 -0.767 -16.315) 16.444 3.702 ( -0.433 -0.411 7.711) 7.734 3.751 ( -0.101 -1.058 7.873) 7.944 4.269 ( 5.542 -0.275 10.678) 12.033 4.290 ( 5.267 -0.733 10.532) 11.799 4.824 ( -11.549 -2.342 -10.977) 16.104 4.896 ( 4.604 -1.677 -12.794) 13.700 5.442 ( -5.620 -0.862 3.968) 6.934 5.599 ( -4.453 -0.839 -2.663) 5.256 5.985 ( -0.819 0.706 3.573) 3.733 6.051 ( -0.020 0.742 9.959) 9.987 6.147 ( 0.094 0.412 -4.375) 4.396 6.320 ( -1.212 1.586 -0.238) 2.010 6.659 ( -7.013 -5.028 3.439) 9.289 6.698 ( -5.291 -4.299 1.091) 6.904 7.519 ( 3.141 1.988 -0.230) 3.725 7.675 ( 4.967 2.866 -6.653) 8.783 7.964 ( 4.687 -1.098 8.251) 9.553 8.218 ( 2.545 0.248 -3.294) 4.170 ======================= Grid point 478 (162/228) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -0.000 5.767 11.902) 13.226 1.042 ( -0.000 2.024 21.609) 21.703 1.295 ( -0.000 0.398 -13.695) 13.700 1.754 ( -0.000 0.525 30.320) 30.324 1.854 ( -0.000 0.610 -17.550) 17.561 2.844 ( 0.000 -0.723 -17.823) 17.838 3.703 ( 0.000 -0.625 8.203) 8.226 3.757 ( 0.000 -1.108 8.479) 8.551 4.245 ( -0.000 0.047 9.688) 9.688 4.512 ( 0.000 -5.882 11.632) 13.034 4.641 ( -0.000 0.243 -9.072) 9.075 4.967 ( 0.000 -2.165 -13.060) 13.239 5.381 ( 0.000 -0.985 4.289) 4.401 5.541 ( 0.000 -0.635 -2.646) 2.722 5.984 ( -0.000 0.084 3.869) 3.870 6.044 ( -0.000 1.195 11.920) 11.980 6.142 ( -0.000 0.631 -3.258) 3.318 6.290 ( -0.000 1.454 1.724) 2.256 6.619 ( 0.000 -6.215 1.397) 6.370 6.677 ( 0.000 -3.502 -1.471) 3.798 7.537 ( -0.000 2.511 0.179) 2.518 7.701 ( -0.000 4.201 -6.407) 7.662 8.020 ( 0.000 -1.801 7.154) 7.378 8.242 ( -0.000 0.298 -2.705) 2.721 ======================= Grid point 487 (163/228) ======================= q-point: (-0.64 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -9.718 0.000 10.992) 14.672 1.679 ( -5.554 0.000 -12.542) 13.717 1.941 ( -13.847 0.000 7.700) 15.844 2.478 ( -0.867 0.000 -16.151) 16.175 3.165 ( -20.406 0.000 8.537) 22.120 3.454 ( -14.509 0.000 -5.526) 15.526 3.537 ( 6.996 -0.000 12.839) 14.621 3.878 ( -4.282 0.000 -0.864) 4.368 3.916 ( -4.286 0.000 9.274) 10.216 4.251 ( 4.167 -0.000 -4.879) 6.416 4.911 ( -4.129 0.000 -1.356) 4.346 5.198 ( -0.484 0.000 -9.895) 9.907 5.489 ( 4.695 -0.000 -5.451) 7.194 5.497 ( 5.273 -0.000 -4.437) 6.892 6.073 ( -2.430 0.000 7.318) 7.711 6.174 ( -3.310 0.000 2.229) 3.991 6.225 ( 2.600 -0.000 -1.503) 3.003 6.321 ( -4.983 0.000 -4.283) 6.571 6.841 ( 1.543 -0.000 15.698) 15.774 7.213 ( 0.376 -0.000 2.426) 2.455 7.242 ( 2.836 -0.000 0.608) 2.901 7.348 ( -0.471 0.000 3.475) 3.507 7.650 ( 0.832 -0.000 -2.547) 2.679 8.002 ( 4.170 -0.000 -8.503) 9.470 ======================= Grid point 489 (164/228) ======================= q-point: (-0.57 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -7.452 0.035 11.292) 13.529 1.540 ( -9.671 -0.083 -9.469) 13.534 1.706 ( -9.968 0.115 8.931) 13.384 2.432 ( -4.794 0.163 -20.477) 21.032 2.729 ( -25.027 -0.167 13.324) 28.354 3.155 ( -15.637 -0.221 -6.509) 16.939 3.683 ( 6.600 -0.031 7.565) 10.039 3.791 ( -4.288 0.120 2.675) 5.056 3.881 ( 1.899 -0.107 14.506) 14.630 4.324 ( 2.793 0.032 -1.067) 2.990 4.832 ( -3.539 -0.057 -4.732) 5.909 5.144 ( -5.300 -0.221 -13.055) 14.092 5.564 ( 1.284 -0.006 -1.044) 1.654 5.575 ( 3.953 -0.153 -3.071) 5.008 6.035 ( -0.689 0.409 7.240) 7.284 6.138 ( -0.826 0.011 1.404) 1.629 6.185 ( -6.121 -0.145 -3.264) 6.938 6.304 ( 2.565 0.496 -3.206) 4.136 6.827 ( -3.268 -0.063 11.894) 12.335 7.103 ( -12.797 -0.888 5.674) 14.026 7.354 ( 7.230 0.941 -3.715) 8.183 7.370 ( 5.809 -1.764 -4.379) 7.485 7.727 ( 6.111 0.144 6.932) 9.242 8.081 ( 4.174 0.033 -6.627) 7.833 ======================= Grid point 490 (165/228) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -6.090 1.333 10.117) 11.883 1.330 ( -11.247 0.269 4.386) 12.075 1.555 ( -6.994 0.354 -1.554) 7.173 2.244 ( -21.247 0.756 9.429) 23.258 2.268 ( -16.270 -0.553 -8.910) 18.558 2.926 ( -7.806 -0.465 -11.374) 13.803 3.724 ( -2.082 0.200 5.925) 6.283 3.739 ( -0.045 -0.626 6.168) 6.200 4.027 ( 11.851 0.100 15.017) 19.130 4.335 ( -1.756 0.014 6.091) 6.339 4.809 ( 1.444 -0.398 -10.742) 10.846 5.003 ( -9.750 -0.913 -13.807) 16.927 5.533 ( -4.308 -0.401 2.941) 5.231 5.628 ( 0.799 -0.196 -2.003) 2.166 6.036 ( 0.059 1.178 8.048) 8.134 6.073 ( -4.646 -0.543 -1.140) 4.814 6.139 ( 0.762 0.065 -2.719) 2.825 6.342 ( 1.400 0.909 -2.451) 2.965 6.739 ( -5.548 -0.778 6.563) 8.629 6.827 ( -15.464 -3.156 5.437) 16.693 7.457 ( 5.416 0.642 -2.003) 5.810 7.554 ( 9.879 0.139 -5.499) 11.307 7.848 ( 6.338 0.044 8.870) 10.902 8.158 ( 3.904 0.094 -4.827) 6.209 ======================= Grid point 491 (166/228) ======================= q-point: (-0.43 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -3.986 3.438 9.346) 10.727 1.145 ( -7.322 0.874 14.840) 16.571 1.406 ( -8.436 0.616 -10.446) 13.441 1.875 ( -13.248 -0.003 28.108) 31.074 1.994 ( -12.588 0.322 -17.180) 21.301 2.847 ( -1.878 -0.594 -16.303) 16.422 3.699 ( -0.583 -0.156 7.511) 7.535 3.740 ( -0.150 -0.858 8.107) 8.153 4.267 ( 9.485 -0.179 11.942) 15.251 4.283 ( 0.213 -0.409 9.989) 10.000 4.802 ( -11.346 -1.341 -10.731) 15.674 4.880 ( 4.512 -1.066 -12.995) 13.797 5.433 ( -5.700 -0.670 4.052) 7.026 5.591 ( -4.410 -0.553 -2.712) 5.206 5.993 ( -1.338 0.557 2.726) 3.088 6.056 ( 0.186 0.235 11.418) 11.421 6.151 ( 0.249 0.295 -4.230) 4.247 6.335 ( -1.527 1.023 0.144) 1.843 6.609 ( -7.604 -3.339 3.124) 8.873 6.664 ( -3.559 -2.052 0.575) 4.148 7.538 ( 3.362 1.285 0.074) 3.600 7.702 ( 5.777 1.827 -6.821) 9.123 7.953 ( 4.221 -0.663 8.590) 9.594 8.221 ( 2.611 0.217 -3.570) 4.428 ======================= Grid point 492 (167/228) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.000 5.012 9.828) 11.032 1.063 ( -0.000 1.596 20.969) 21.029 1.300 ( -0.000 0.445 -12.911) 12.918 1.758 ( -0.000 0.108 29.803) 29.804 1.860 ( -0.000 0.488 -17.352) 17.359 2.836 ( 0.000 -0.692 -17.755) 17.769 3.697 ( 0.000 -0.435 8.099) 8.111 3.744 ( 0.000 -1.032 8.608) 8.670 4.246 ( -0.000 0.038 9.731) 9.731 4.459 ( 0.000 -3.515 13.027) 13.493 4.644 ( -0.000 0.201 -9.126) 9.129 4.944 ( 0.000 -1.685 -13.187) 13.295 5.370 ( 0.000 -0.790 4.316) 4.388 5.534 ( 0.000 -0.509 -2.838) 2.883 5.985 ( -0.000 0.082 4.095) 4.096 6.055 ( -0.000 0.629 12.693) 12.708 6.148 ( -0.000 0.483 -3.331) 3.366 6.304 ( -0.000 0.998 2.177) 2.395 6.562 ( 0.000 -3.621 0.357) 3.639 6.644 ( 0.000 -2.355 -2.058) 3.128 7.562 ( -0.000 1.848 0.664) 1.963 7.743 ( -0.000 3.022 -6.765) 7.409 8.002 ( 0.000 -1.302 7.756) 7.864 8.246 ( -0.000 0.307 -3.093) 3.108 ======================= Grid point 503 (168/228) ======================= q-point: (-0.57 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -5.699 0.000 9.834) 11.366 1.332 ( -11.142 0.000 4.102) 11.874 1.557 ( -6.933 0.000 -1.201) 7.036 2.249 ( -24.347 0.000 19.999) 31.507 2.263 ( -13.159 0.000 -19.489) 23.515 2.923 ( -7.797 0.000 -11.383) 13.797 3.726 ( -2.424 0.000 5.491) 6.002 3.734 ( 0.184 -0.000 6.640) 6.642 4.028 ( 11.829 -0.000 15.036) 19.131 4.335 ( -1.780 0.000 6.201) 6.452 4.807 ( 1.365 -0.000 -10.882) 10.967 4.997 ( -9.855 0.000 -13.736) 16.906 5.530 ( -4.342 0.000 2.994) 5.274 5.626 ( 0.705 -0.000 -2.067) 2.184 6.044 ( 0.944 -0.000 9.155) 9.203 6.068 ( -5.526 0.000 -2.388) 6.020 6.140 ( 0.800 -0.000 -2.374) 2.505 6.347 ( 1.369 -0.000 -2.426) 2.786 6.734 ( -5.558 0.000 6.327) 8.421 6.808 ( -15.646 0.000 5.730) 16.663 7.461 ( 5.475 -0.000 -2.022) 5.836 7.555 ( 10.357 -0.000 -5.345) 11.655 7.849 ( 6.212 -0.000 8.786) 10.760 8.158 ( 3.922 -0.000 -4.875) 6.257 ======================= Grid point 505 (169/228) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -3.446 1.276 8.505) 9.265 1.152 ( -7.105 0.303 14.393) 16.053 1.411 ( -8.490 0.244 -9.862) 13.015 1.875 ( -13.306 -0.038 28.212) 31.192 1.996 ( -12.536 0.110 -17.310) 21.373 2.842 ( -1.867 -0.224 -16.312) 16.420 3.698 ( -0.699 -0.011 7.277) 7.311 3.733 ( -0.166 -0.349 8.368) 8.377 4.265 ( 11.849 -0.052 12.760) 17.413 4.280 ( -2.697 -0.137 9.491) 9.867 4.792 ( -11.095 -0.432 -10.622) 15.366 4.871 ( 4.388 -0.364 -13.097) 13.817 5.427 ( -5.711 -0.252 4.114) 7.043 5.586 ( -4.380 -0.193 -2.752) 5.176 5.997 ( -1.704 0.218 2.072) 2.692 6.057 ( 0.373 0.023 12.420) 12.425 6.153 ( 0.323 0.108 -4.130) 4.144 6.343 ( -1.737 0.350 0.378) 1.812 6.584 ( -7.198 -1.068 2.604) 7.729 6.648 ( -3.282 -0.676 0.446) 3.380 7.548 ( 3.475 0.443 0.231) 3.511 7.717 ( 6.228 0.635 -7.008) 9.397 7.948 ( 3.933 -0.225 8.888) 9.722 8.223 ( 2.648 0.086 -3.706) 4.556 ======================= Grid point 506 (170/228) ======================= q-point: (-0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -0.000 2.936 8.424) 8.921 1.078 ( -0.000 0.876 20.544) 20.563 1.304 ( -0.000 0.288 -12.206) 12.209 1.758 ( 0.000 -0.071 29.449) 29.449 1.865 ( -0.000 0.271 -17.215) 17.217 2.829 ( 0.000 -0.426 -17.732) 17.737 3.693 ( 0.000 -0.177 7.899) 7.901 3.734 ( 0.000 -0.656 8.828) 8.852 4.246 ( -0.000 0.021 9.761) 9.761 4.430 ( 0.000 -1.586 13.581) 13.673 4.646 ( -0.000 0.114 -9.166) 9.167 4.929 ( 0.000 -0.909 -13.225) 13.256 5.363 ( 0.000 -0.439 4.339) 4.362 5.530 ( 0.000 -0.282 -2.966) 2.980 5.985 ( -0.000 0.050 4.242) 4.242 6.060 ( -0.000 0.235 13.248) 13.250 6.153 ( -0.000 0.260 -3.379) 3.389 6.312 ( -0.000 0.493 2.464) 2.513 6.533 ( 0.000 -1.570 -0.649) 1.699 6.623 ( 0.000 -1.214 -2.333) 2.630 7.578 ( -0.000 0.970 0.965) 1.369 7.770 ( -0.000 1.636 -7.313) 7.494 7.990 ( 0.000 -0.721 8.509) 8.539 8.249 ( -0.000 0.194 -3.319) 3.325 ======================= Grid point 520 (171/228) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 178 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.000 0.000 7.922) 7.922 1.083 ( -0.000 0.000 20.396) 20.396 1.306 ( -0.000 0.000 -11.917) 11.917 1.757 ( -0.000 0.000 29.323) 29.323 1.866 ( -0.000 0.000 -17.166) 17.166 2.827 ( -0.000 0.000 -17.729) 17.729 3.692 ( -0.000 0.000 7.777) 7.777 3.730 ( -0.000 0.000 8.955) 8.955 4.246 ( -0.000 0.000 9.771) 9.771 4.421 ( -0.000 0.000 13.719) 13.719 4.647 ( -0.000 0.000 -9.181) 9.181 4.924 ( -0.000 0.000 -13.230) 13.230 5.361 ( -0.000 0.000 4.349) 4.349 5.528 ( 0.000 -0.000 -3.011) 3.011 5.986 ( -0.000 0.000 4.293) 4.293 6.061 ( -0.000 0.000 13.441) 13.441 6.154 ( -0.000 0.000 -3.395) 3.395 6.315 ( -0.000 0.000 2.557) 2.557 6.524 ( -0.000 0.000 -1.031) 1.031 6.616 ( -0.000 0.000 -2.408) 2.408 7.584 ( -0.000 0.000 1.068) 1.068 7.779 ( -0.000 0.000 -7.610) 7.610 7.986 ( -0.000 0.000 8.882) 8.882 8.250 ( -0.000 0.000 -3.392) 3.392 ======================= Grid point 615 (172/228) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 0.000 -21.410) 21.410 0.893 ( 0.000 0.000 21.410) 21.410 1.432 ( 0.000 0.000 -21.914) 21.914 1.432 ( 0.000 0.000 21.914) 21.914 2.373 ( 0.000 0.000 -29.932) 29.932 2.373 ( 0.000 0.000 29.932) 29.932 3.849 ( 0.000 0.000 -2.762) 2.762 3.849 ( 0.000 0.000 2.762) 2.762 4.442 ( 0.000 0.000 -10.083) 10.083 4.442 ( 0.000 0.000 10.083) 10.083 4.847 ( 0.000 0.000 -5.697) 5.697 4.847 ( 0.000 0.000 5.697) 5.697 5.498 ( 0.000 0.000 -4.057) 4.057 5.498 ( 0.000 0.000 4.057) 4.057 6.052 ( 0.000 0.000 -3.690) 3.690 6.052 ( 0.000 0.000 3.690) 3.690 6.172 ( 0.000 0.000 -6.878) 6.878 6.172 ( 0.000 0.000 6.878) 6.878 6.864 ( 0.000 0.000 -7.514) 7.514 6.864 ( 0.000 0.000 7.514) 7.514 7.440 ( 0.000 0.000 -1.758) 1.758 7.440 ( 0.000 0.000 1.758) 1.758 8.200 ( 0.000 0.000 -2.998) 2.998 8.200 ( 0.000 0.000 2.998) 2.998 ======================= Grid point 617 (173/228) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 5.372 -0.221 -19.581) 20.305 0.943 ( 5.372 -0.221 19.581) 20.305 1.564 ( 11.952 -0.246 -21.095) 24.247 1.564 ( 11.952 -0.246 21.095) 24.247 2.437 ( 7.140 -0.050 -26.936) 27.867 2.437 ( 7.140 -0.050 26.936) 27.867 3.842 ( -0.688 0.196 -2.550) 2.649 3.842 ( -0.688 0.196 2.550) 2.649 4.403 ( -4.981 -0.133 -1.928) 5.343 4.403 ( -4.981 -0.133 1.928) 5.343 4.821 ( -0.050 0.908 -0.501) 1.038 4.821 ( -0.050 0.908 0.501) 1.038 5.557 ( 4.532 0.155 -4.726) 6.550 5.557 ( 4.532 0.155 4.726) 6.550 6.036 ( -1.183 -0.099 -4.150) 4.317 6.036 ( -1.183 -0.099 4.150) 4.317 6.166 ( -0.775 -0.583 -6.968) 7.035 6.166 ( -0.775 -0.583 6.968) 7.035 6.940 ( 7.421 2.003 -9.903) 12.536 6.940 ( 7.421 2.003 9.903) 12.536 7.428 ( -1.494 -1.179 -2.261) 2.956 7.428 ( -1.494 -1.179 2.261) 2.956 8.159 ( -4.013 0.396 -4.155) 5.790 8.159 ( -4.013 0.396 4.155) 5.790 ======================= Grid point 619 (174/228) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 9.695 -0.239 -16.998) 19.570 1.092 ( 9.695 -0.239 16.998) 19.570 1.802 ( 11.563 -0.419 -21.493) 24.410 1.802 ( 11.563 -0.419 21.493) 24.410 2.659 ( 16.174 0.108 -19.035) 24.978 2.659 ( 16.174 0.108 19.035) 24.978 3.823 ( -1.117 0.371 -1.308) 1.760 3.823 ( -1.117 0.371 1.308) 1.760 4.268 ( -8.078 -0.408 -9.871) 12.761 4.268 ( -8.078 -0.408 9.871) 12.761 4.868 ( 4.715 1.102 -8.653) 9.916 4.868 ( 4.715 1.102 8.653) 9.916 5.610 ( 0.287 0.077 -2.275) 2.294 5.610 ( 0.287 0.077 2.275) 2.294 6.033 ( 1.169 -0.261 -0.735) 1.405 6.033 ( 1.169 -0.261 0.735) 1.405 6.154 ( -0.756 -0.935 -5.644) 5.771 6.154 ( -0.756 -0.935 5.644) 5.771 7.062 ( 5.388 2.274 -12.562) 13.857 7.062 ( 5.388 2.274 12.562) 13.857 7.412 ( -0.072 -0.508 -4.334) 4.364 7.412 ( -0.072 -0.508 4.334) 4.364 8.055 ( -6.346 0.544 -6.826) 9.337 8.055 ( -6.346 0.544 6.826) 9.337 ======================= Grid point 621 (175/228) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 10.924 0.274 -14.614) 18.247 1.292 ( 10.924 0.274 14.614) 18.247 1.994 ( 8.841 -0.388 -19.663) 21.562 1.994 ( 8.841 -0.388 19.663) 21.562 3.013 ( 19.998 0.417 -11.709) 23.178 3.013 ( 19.998 0.417 11.709) 23.178 3.799 ( -1.150 0.245 -2.808) 3.045 3.799 ( -1.150 0.245 2.808) 3.045 4.139 ( -5.313 -0.494 -12.498) 13.590 4.139 ( -5.313 -0.494 12.498) 13.590 4.950 ( 3.790 0.692 -10.253) 10.953 4.950 ( 3.790 0.692 10.253) 10.953 5.563 ( -4.653 0.108 -1.510) 4.893 5.563 ( -4.653 0.108 1.510) 4.893 6.069 ( 1.034 -1.351 -6.676) 6.889 6.069 ( 1.034 -1.351 6.676) 6.889 6.170 ( 2.988 -0.149 -2.348) 3.803 6.170 ( 2.988 -0.149 2.348) 3.803 7.097 ( -0.502 0.264 -12.236) 12.249 7.097 ( -0.502 0.264 12.236) 12.249 7.439 ( 2.905 2.080 -8.192) 8.937 7.439 ( 2.905 2.080 8.192) 8.937 7.924 ( -6.976 0.431 -9.804) 12.040 7.924 ( -6.976 0.431 9.804) 12.040 ======================= Grid point 623 (176/228) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 9.943 1.218 -11.837) 15.507 1.488 ( 9.943 1.218 11.837) 15.507 2.156 ( 8.316 -0.123 -14.155) 16.417 2.156 ( 8.316 -0.123 14.155) 16.417 3.359 ( 15.613 0.592 -7.044) 17.138 3.359 ( 15.613 0.592 7.044) 17.138 3.777 ( -1.039 0.088 -9.754) 9.810 3.777 ( -1.039 0.088 9.754) 9.810 4.084 ( -0.549 -0.340 -8.602) 8.627 4.084 ( -0.549 -0.340 8.602) 8.627 4.993 ( 0.983 -0.143 -8.649) 8.706 4.993 ( 0.983 -0.143 8.649) 8.706 5.455 ( -6.130 0.184 -1.758) 6.380 5.455 ( -6.130 0.184 1.758) 6.380 6.078 ( -0.539 -1.853 -5.830) 6.141 6.078 ( -0.539 -1.853 5.830) 6.141 6.262 ( 5.908 0.544 -3.179) 6.731 6.262 ( 5.908 0.544 3.179) 6.731 7.074 ( -1.269 -0.687 -11.677) 11.766 7.074 ( -1.269 -0.687 11.677) 11.766 7.476 ( 2.258 3.134 -10.527) 11.214 7.476 ( 2.258 3.134 10.527) 11.214 7.791 ( -6.795 0.126 -12.415) 14.153 7.791 ( -6.795 0.126 12.415) 14.153 ======================= Grid point 625 (177/228) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 7.622 1.878 -8.331) 11.447 1.647 ( 7.622 1.878 8.331) 11.447 2.309 ( 7.591 0.171 -7.623) 10.759 2.309 ( 7.591 0.171 7.623) 10.759 3.550 ( 3.751 0.101 -5.962) 7.044 3.550 ( 3.751 0.101 5.962) 7.044 3.783 ( 2.966 0.523 -11.175) 11.574 3.783 ( 2.966 0.523 11.175) 11.574 4.115 ( 2.969 -0.117 -4.140) 5.096 4.115 ( 2.969 -0.117 4.140) 5.096 4.997 ( -0.499 -0.878 -5.935) 6.020 4.997 ( -0.499 -0.878 5.935) 6.020 5.344 ( -5.223 0.098 -0.829) 5.290 5.344 ( -5.223 0.098 0.829) 5.290 6.079 ( -0.261 -1.322 -3.635) 3.876 6.079 ( -0.261 -1.322 3.635) 3.876 6.365 ( 5.050 0.591 -3.176) 5.994 6.365 ( 5.050 0.591 3.176) 5.994 7.076 ( 1.298 -0.856 -10.954) 11.064 7.076 ( 1.298 -0.856 10.954) 11.064 7.480 ( -0.251 3.083 -10.567) 11.011 7.480 ( -0.251 3.083 10.567) 11.011 7.669 ( -5.817 -0.322 -13.543) 14.743 7.669 ( -5.817 -0.322 13.543) 14.743 ======================= Grid point 627 (178/228) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 4.191 1.467 -4.285) 6.171 1.750 ( 4.191 1.467 4.285) 6.171 2.430 ( 4.930 0.218 -2.599) 5.577 2.430 ( 4.930 0.218 2.599) 5.577 3.544 ( -2.158 -0.054 -5.980) 6.358 3.544 ( -2.158 -0.054 5.980) 6.358 3.863 ( 4.275 0.375 -5.319) 6.835 3.863 ( 4.275 0.375 5.319) 6.835 4.165 ( 1.785 0.076 -1.447) 2.299 4.165 ( 1.785 0.076 1.447) 2.299 4.995 ( -0.229 -0.836 -3.083) 3.203 4.995 ( -0.229 -0.836 3.083) 3.203 5.265 ( -2.979 0.008 -0.427) 3.009 5.265 ( -2.979 0.008 0.427) 3.009 6.083 ( 0.021 -0.608 -1.817) 1.916 6.083 ( 0.021 -0.608 1.817) 1.916 6.438 ( 2.758 0.343 -1.860) 3.344 6.438 ( 2.758 0.343 1.860) 3.345 7.134 ( 4.012 -0.921 -8.747) 9.667 7.134 ( 4.012 -0.921 8.747) 9.667 7.420 ( -4.222 2.231 -4.513) 6.570 7.420 ( -4.222 2.231 4.513) 6.570 7.592 ( -2.323 -0.300 -7.509) 7.866 7.592 ( -2.323 -0.300 7.509) 7.866 ======================= Grid point 629 (179/228) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.000 -0.000 -0.328) 0.328 1.786 ( 0.000 -0.000 0.328) 0.328 2.479 ( 0.000 -0.000 -0.412) 0.412 2.479 ( 0.000 -0.000 0.412) 0.412 3.518 ( 0.000 -0.000 -1.099) 1.099 3.518 ( 0.000 -0.000 1.099) 1.099 3.907 ( 0.000 -0.000 -0.114) 0.114 3.907 ( 0.000 -0.000 0.114) 0.114 4.180 ( 0.000 0.000 -0.218) 0.218 4.180 ( 0.000 -0.000 0.218) 0.218 4.996 ( 0.000 -0.000 -1.071) 1.071 4.996 ( 0.000 -0.000 1.071) 1.071 5.236 ( 0.000 -0.000 -0.358) 0.358 5.236 ( 0.000 -0.000 0.358) 0.358 6.085 ( 0.000 -0.000 -0.598) 0.598 6.085 ( 0.000 -0.000 0.598) 0.598 6.463 ( 0.000 -0.000 -0.227) 0.227 6.463 ( 0.000 -0.000 0.227) 0.227 7.198 ( 0.000 -0.000 -1.246) 1.246 7.198 ( 0.000 -0.000 1.246) 1.246 7.347 ( 0.000 -0.000 -3.752) 3.752 7.347 ( 0.000 -0.000 3.752) 3.752 7.574 ( 0.000 -0.000 -2.048) 2.048 7.574 ( 0.000 -0.000 2.048) 2.048 ======================= Grid point 647 (180/228) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 9.796 -0.000 -17.127) 19.730 1.091 ( 9.796 -0.000 17.127) 19.730 1.800 ( 11.595 -0.000 -21.535) 24.458 1.800 ( 11.595 -0.000 21.535) 24.458 2.659 ( 16.237 -0.000 -19.133) 25.094 2.659 ( 16.237 -0.000 19.133) 25.094 3.825 ( -1.149 0.000 -1.307) 1.740 3.825 ( -1.149 0.000 1.307) 1.740 4.265 ( -8.096 0.000 -9.836) 12.739 4.265 ( -8.096 0.000 9.836) 12.739 4.875 ( 4.518 -0.000 -8.757) 9.854 4.875 ( 4.518 -0.000 8.757) 9.854 5.610 ( 0.243 -0.000 -2.281) 2.293 5.610 ( 0.243 -0.000 2.281) 2.293 6.031 ( 1.065 -0.000 -0.149) 1.075 6.031 ( 1.065 -0.000 0.149) 1.075 6.148 ( -0.613 0.000 -5.521) 5.555 6.148 ( -0.613 0.000 5.521) 5.555 7.076 ( 4.618 -0.000 -13.230) 14.013 7.076 ( 4.618 -0.000 13.230) 14.013 7.409 ( 0.697 -0.000 -4.395) 4.450 7.409 ( 0.697 -0.000 4.395) 4.450 8.058 ( -6.412 0.000 -6.641) 9.231 8.058 ( -6.412 0.000 6.641) 9.231 ======================= Grid point 649 (181/228) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 11.224 0.098 -14.640) 18.448 1.294 ( 11.224 0.098 14.640) 18.448 1.991 ( 8.960 -0.134 -19.672) 21.617 1.991 ( 8.960 -0.134 19.672) 21.617 3.017 ( 20.079 0.143 -11.800) 23.290 3.017 ( 20.079 0.143 11.800) 23.290 3.801 ( -1.283 0.100 -2.854) 3.131 3.801 ( -1.283 0.100 2.854) 3.131 4.135 ( -5.232 -0.189 -12.509) 13.560 4.135 ( -5.232 -0.189 12.509) 13.560 4.955 ( 3.425 0.252 -10.330) 10.886 4.955 ( 3.425 0.252 10.330) 10.886 5.564 ( -4.618 0.028 -1.574) 4.879 5.564 ( -4.618 0.028 1.574) 4.879 6.058 ( 0.628 -0.507 -6.957) 7.004 6.058 ( 0.628 -0.507 6.957) 7.004 6.169 ( 3.528 -0.031 -2.216) 4.167 6.169 ( 3.528 -0.031 2.216) 4.167 7.099 ( -1.239 0.078 -12.304) 12.367 7.099 ( -1.239 0.078 12.304) 12.367 7.455 ( 3.485 0.750 -8.791) 9.486 7.455 ( 3.485 0.750 8.791) 9.486 7.927 ( -7.096 0.187 -9.614) 11.951 7.927 ( -7.096 0.187 9.614) 11.951 ======================= Grid point 651 (182/228) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 10.289 0.664 -11.627) 15.539 1.499 ( 10.289 0.664 11.627) 15.539 2.155 ( 8.488 -0.060 -14.121) 16.476 2.155 ( 8.488 -0.060 14.121) 16.476 3.365 ( 15.515 0.321 -7.003) 17.025 3.365 ( 15.515 0.321 7.003) 17.025 3.778 ( -0.990 0.065 -9.829) 9.879 3.778 ( -0.990 0.065 9.829) 9.879 4.081 ( -0.440 -0.211 -8.581) 8.595 4.081 ( -0.440 -0.211 8.581) 8.595 4.992 ( 0.553 -0.086 -8.667) 8.685 4.992 ( 0.553 -0.086 8.667) 8.685 5.457 ( -6.148 0.096 -1.929) 6.444 5.457 ( -6.148 0.096 1.929) 6.444 6.062 ( -0.257 -1.003 -6.194) 6.280 6.062 ( -0.257 -1.003 6.194) 6.280 6.267 ( 5.985 0.296 -3.163) 6.775 6.267 ( 5.985 0.296 3.163) 6.775 7.068 ( -1.372 -0.348 -11.728) 11.814 7.068 ( -1.372 -0.348 11.728) 11.814 7.504 ( 2.075 1.650 -11.034) 11.348 7.504 ( 2.075 1.650 11.034) 11.348 7.792 ( -6.973 0.137 -12.367) 14.198 7.792 ( -6.973 0.137 12.367) 14.198 ======================= Grid point 653 (183/228) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 7.614 1.270 -7.979) 11.102 1.665 ( 7.614 1.270 7.979) 11.102 2.311 ( 7.689 0.127 -7.577) 10.796 2.311 ( 7.689 0.127 7.577) 10.796 3.551 ( 3.441 0.060 -5.900) 6.830 3.551 ( 3.441 0.060 5.900) 6.830 3.788 ( 3.121 0.359 -11.103) 11.539 3.788 ( 3.121 0.359 11.103) 11.539 4.114 ( 3.125 -0.093 -4.140) 5.187 4.114 ( 3.125 -0.093 4.140) 5.187 4.989 ( -0.672 -0.611 -5.942) 6.011 4.989 ( -0.672 -0.611 5.942) 6.011 5.345 ( -5.294 0.066 -0.934) 5.376 5.345 ( -5.294 0.066 0.934) 5.376 6.066 ( 0.177 -0.896 -4.103) 4.204 6.066 ( 0.177 -0.896 4.103) 4.204 6.372 ( 4.993 0.456 -3.116) 5.903 6.372 ( 4.993 0.456 3.116) 5.903 7.067 ( 1.268 -0.601 -11.100) 11.188 7.067 ( 1.268 -0.601 11.100) 11.188 7.510 ( -0.539 2.092 -11.115) 11.323 7.510 ( -0.539 2.092 11.115) 11.323 7.666 ( -6.065 -0.212 -13.956) 15.218 7.666 ( -6.065 -0.212 13.956) 15.218 ======================= Grid point 655 (184/228) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 3.553 1.132 -3.943) 5.427 1.765 ( 3.553 1.132 3.943) 5.427 2.432 ( 4.852 0.171 -2.583) 5.500 2.432 ( 4.852 0.171 2.583) 5.500 3.543 ( -2.109 -0.031 -5.643) 6.025 3.543 ( -2.109 -0.031 5.643) 6.025 3.867 ( 4.034 0.275 -5.415) 6.758 3.867 ( 4.034 0.275 5.415) 6.758 4.166 ( 1.816 0.071 -1.483) 2.346 4.166 ( 1.816 0.071 1.483) 2.346 4.986 ( 0.082 -0.671 -3.089) 3.162 4.986 ( 0.082 -0.671 3.089) 3.162 5.265 ( -2.997 0.010 -0.463) 3.033 5.265 ( -2.997 0.010 0.463) 3.033 6.076 ( 0.388 -0.513 -2.248) 2.339 6.076 ( 0.388 -0.513 2.248) 2.339 6.442 ( 2.623 0.399 -1.823) 3.219 6.442 ( 2.623 0.399 1.823) 3.219 7.124 ( 3.973 -0.843 -9.128) 9.991 7.124 ( 3.973 -0.843 9.128) 9.991 7.444 ( -5.049 1.822 -3.490) 6.403 7.444 ( -5.049 1.822 3.490) 6.403 7.589 ( -2.058 -0.256 -6.414) 6.740 7.589 ( -2.058 -0.256 6.414) 6.740 ======================= Grid point 657 (185/228) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -1.015 -0.054 -0.429) 1.103 1.785 ( -1.015 -0.054 0.429) 1.103 2.478 ( -0.166 -0.019 -0.372) 0.408 2.478 ( -0.166 -0.019 0.372) 0.408 3.518 ( 0.029 0.025 -1.073) 1.073 3.518 ( 0.029 0.025 1.073) 1.073 3.907 ( -0.206 -0.011 -0.176) 0.271 3.907 ( -0.206 -0.011 0.176) 0.271 4.180 ( -0.079 0.012 -0.207) 0.222 4.180 ( -0.079 0.012 0.207) 0.222 4.996 ( 0.585 -0.011 -0.968) 1.131 4.996 ( 0.585 -0.011 0.968) 1.131 5.236 ( 0.007 0.011 -0.411) 0.411 5.236 ( 0.007 0.011 0.411) 0.411 6.085 ( 0.316 -0.057 -0.713) 0.782 6.085 ( 0.316 -0.057 0.713) 0.782 6.464 ( -0.142 0.176 -0.207) 0.306 6.464 ( -0.142 0.176 0.207) 0.306 7.195 ( 1.114 -0.465 -2.366) 2.656 7.195 ( 1.114 -0.465 2.366) 2.656 7.349 ( -1.882 0.332 -4.678) 5.054 7.349 ( -1.882 0.332 4.678) 5.054 7.574 ( 0.123 0.024 -2.335) 2.338 7.574 ( 0.123 0.024 2.335) 2.338 ======================= Grid point 659 (186/228) ======================= q-point: (-0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -4.902 -1.531 -4.681) 6.949 1.732 ( -4.902 -1.531 4.681) 6.949 2.427 ( -5.000 -0.222 -2.608) 5.644 2.427 ( -5.000 -0.222 2.608) 5.644 3.545 ( 2.202 0.070 -6.331) 6.704 3.545 ( 2.202 0.070 6.331) 6.704 3.858 ( -4.555 -0.406 -5.225) 6.944 3.858 ( -4.555 -0.406 5.225) 6.944 4.165 ( -1.759 -0.067 -1.394) 2.246 4.165 ( -1.759 -0.067 1.394) 2.246 5.004 ( 0.581 0.836 -3.043) 3.209 5.004 ( 0.581 0.836 3.043) 3.209 5.265 ( 2.953 -0.003 -0.416) 2.983 5.265 ( 2.953 -0.003 0.416) 2.983 6.090 ( 0.413 0.564 -1.314) 1.488 6.090 ( 0.413 0.564 1.314) 1.488 6.435 ( -2.929 -0.159 -1.916) 3.503 6.435 ( -2.929 -0.159 1.916) 3.503 7.144 ( -3.964 0.743 -8.083) 9.033 7.144 ( -3.964 0.743 8.083) 9.033 7.395 ( 3.284 -2.165 -5.316) 6.613 7.395 ( 3.284 -2.165 5.316) 6.613 7.595 ( 2.550 0.290 -8.353) 8.739 7.595 ( 2.550 0.290 8.353) 8.739 ======================= Grid point 661 (187/228) ======================= q-point: (-0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -7.627 -2.144 -8.792) 11.835 1.623 ( -7.627 -2.144 8.792) 11.835 2.307 ( -7.460 -0.173 -7.678) 10.707 2.307 ( -7.460 -0.173 7.678) 10.707 3.549 ( -4.170 -0.130 -6.042) 7.343 3.549 ( -4.170 -0.130 6.042) 7.343 3.776 ( -2.721 -0.585 -11.282) 11.621 3.776 ( -2.721 -0.585 11.282) 11.621 4.116 ( -2.806 0.102 -4.127) 4.991 4.116 ( -2.806 0.102 4.127) 4.991 5.008 ( 0.271 0.967 -5.929) 6.014 5.008 ( 0.271 0.967 5.929) 6.014 5.343 ( 5.131 -0.111 -0.690) 5.179 5.343 ( 5.131 -0.111 0.690) 5.179 6.096 ( 0.848 1.491 -3.020) 3.473 6.096 ( 0.848 1.491 3.020) 3.473 6.359 ( -5.173 -0.543 -3.293) 6.156 6.359 ( -5.173 -0.543 3.293) 6.156 7.086 ( -1.245 0.940 -10.670) 10.784 7.086 ( -1.245 0.940 10.670) 10.784 7.441 ( -0.283 -3.514 -9.954) 10.560 7.441 ( -0.283 -3.514 9.954) 10.560 7.673 ( 5.631 0.372 -13.140) 14.301 7.673 ( 5.631 0.372 13.140) 14.301 ======================= Grid point 663 (188/228) ======================= q-point: (-0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -9.433 -1.557 -12.143) 15.455 1.472 ( -9.433 -1.557 12.143) 15.455 2.158 ( -8.062 0.181 -14.201) 16.331 2.158 ( -8.062 0.181 14.201) 16.331 3.351 ( -15.753 -0.765 -7.109) 17.300 3.351 ( -15.753 -0.765 7.109) 17.300 3.776 ( 1.129 -0.065 -9.673) 9.739 3.776 ( 1.129 -0.065 9.673) 9.739 4.088 ( 0.690 0.355 -8.652) 8.687 4.088 ( 0.690 0.355 8.652) 8.687 4.995 ( -1.599 0.158 -8.629) 8.778 4.995 ( -1.599 0.158 8.629) 8.778 5.453 ( 6.089 -0.247 -1.506) 6.277 5.453 ( 6.089 -0.247 1.506) 6.277 6.103 ( 0.950 2.393 -5.312) 5.903 6.103 ( 0.950 2.393 5.312) 5.903 6.254 ( -5.841 -0.696 -3.229) 6.710 6.254 ( -5.841 -0.696 3.229) 6.710 7.084 ( 1.161 1.011 -11.594) 11.696 7.084 ( 1.161 1.011 11.594) 11.696 7.433 ( -2.537 -4.194 -9.583) 10.764 7.433 ( -2.537 -4.194 9.583) 10.764 7.790 ( 6.579 0.005 -12.316) 13.963 7.790 ( 6.579 0.005 12.316) 13.963 ======================= Grid point 665 (189/228) ======================= q-point: (-0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -10.362 -0.395 -14.553) 17.869 1.288 ( -10.362 -0.395 14.553) 17.869 2.000 ( -8.624 0.594 -19.643) 21.461 2.000 ( -8.624 0.594 19.643) 21.461 3.007 ( -19.868 -0.644 -11.554) 22.992 3.007 ( -19.868 -0.644 11.554) 22.992 3.796 ( 0.929 -0.270 -2.754) 2.919 3.796 ( 0.929 -0.270 2.754) 2.919 4.145 ( 5.453 0.632 -12.517) 13.668 4.145 ( 5.453 0.632 12.517) 13.668 4.940 ( -4.412 -0.969 -10.137) 11.098 4.940 ( -4.412 -0.969 10.137) 11.098 5.561 ( 4.683 -0.221 -1.369) 4.884 5.561 ( 4.683 -0.221 1.369) 4.884 6.087 ( -2.039 1.660 -6.077) 6.621 6.087 ( -2.039 1.660 6.077) 6.621 6.174 ( -1.765 0.483 -2.694) 3.257 6.174 ( -1.765 0.483 2.694) 3.257 7.092 ( -1.051 -0.518 -12.041) 12.098 7.092 ( -1.051 -0.518 12.041) 12.098 7.409 ( -1.577 -2.896 -7.029) 7.764 7.409 ( -1.577 -2.896 7.029) 7.764 7.918 ( 6.780 -0.417 -10.002) 12.091 7.918 ( 6.780 -0.417 10.002) 12.091 ======================= Grid point 667 (190/228) ======================= q-point: (-0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -9.385 0.491 -16.615) 19.089 1.096 ( -9.385 0.491 16.615) 19.089 1.809 ( -11.474 0.782 -21.374) 24.271 1.809 ( -11.474 0.782 21.374) 24.271 2.657 ( -16.010 -0.260 -18.768) 24.670 2.657 ( -16.010 -0.260 18.768) 24.670 3.817 ( 1.017 -0.602 -1.292) 1.752 3.817 ( 1.017 -0.602 1.292) 1.752 4.274 ( 8.038 0.682 -9.970) 12.825 4.274 ( 8.038 0.682 9.970) 12.825 4.851 ( -5.232 -1.875 -8.403) 10.075 4.851 ( -5.232 -1.875 8.403) 10.075 5.608 ( -0.415 -0.234 -2.264) 2.314 5.608 ( -0.415 -0.234 2.264) 2.314 6.037 ( -1.384 0.398 -1.266) 1.918 6.037 ( -1.384 0.398 1.266) 1.918 6.169 ( 1.068 1.709 -5.917) 6.251 6.169 ( 1.068 1.709 5.917) 6.251 7.026 ( -7.194 -3.985 -10.790) 13.567 7.026 ( -7.194 -3.985 10.790) 13.567 7.421 ( 1.921 0.894 -4.132) 4.643 7.421 ( 1.921 0.894 4.132) 4.643 8.047 ( 6.177 -0.786 -7.255) 9.561 8.047 ( 6.177 -0.786 7.255) 9.561 ======================= Grid point 669 (191/228) ======================= q-point: (-0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -5.303 0.713 -19.144) 19.878 0.948 ( -5.303 0.713 19.144) 19.878 1.569 ( -11.930 0.697 -20.948) 24.117 1.569 ( -11.930 0.697 20.948) 24.117 2.438 ( -7.051 0.080 -26.704) 27.619 2.438 ( -7.051 0.080 26.704) 27.619 3.838 ( 0.722 -0.547 -2.506) 2.665 3.838 ( 0.722 -0.547 2.506) 2.665 4.406 ( 4.833 0.367 -1.958) 5.228 4.406 ( 4.833 0.367 1.958) 5.228 4.802 ( -0.286 -2.405 -1.255) 2.728 4.802 ( -0.286 -2.405 1.255) 2.728 5.553 ( -4.666 -0.463 -4.605) 6.572 5.553 ( -4.666 -0.463 4.605) 6.572 6.038 ( 1.201 0.281 -4.172) 4.351 6.038 ( 1.201 0.281 4.172) 4.351 6.179 ( 0.805 1.568 -6.968) 7.188 6.179 ( 0.805 1.568 6.968) 7.188 6.898 ( -7.775 -5.035 -7.785) 12.100 6.898 ( -7.775 -5.035 7.785) 12.100 7.452 ( 2.050 2.848 -2.701) 4.428 7.452 ( 2.050 2.848 2.701) 4.428 8.150 ( 3.921 -0.968 -4.668) 6.173 8.150 ( 3.921 -0.968 4.668) 6.173 ======================= Grid point 671 (192/228) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.000 0.500 -21.154) 21.159 0.896 ( -0.000 0.500 21.154) 21.159 1.435 ( -0.000 0.504 -21.823) 21.829 1.435 ( -0.000 0.504 21.823) 21.829 2.374 ( -0.000 0.159 -29.804) 29.804 2.374 ( -0.000 0.159 29.804) 29.804 3.847 ( 0.000 -0.334 -2.717) 2.738 3.847 ( 0.000 -0.334 2.717) 2.738 4.443 ( -0.000 0.059 -10.095) 10.095 4.443 ( -0.000 0.059 10.095) 10.095 4.835 ( 0.000 -2.047 -6.458) 6.774 4.835 ( 0.000 -2.047 6.458) 6.774 5.496 ( 0.000 -0.409 -4.079) 4.100 5.496 ( 0.000 -0.409 4.079) 4.100 6.053 ( -0.000 0.209 -3.737) 3.743 6.053 ( -0.000 0.209 3.737) 3.743 6.179 ( -0.000 1.138 -6.866) 6.960 6.179 ( -0.000 1.138 6.866) 6.960 6.840 ( 0.000 -3.947 -6.320) 7.451 6.840 ( 0.000 -3.947 6.320) 7.451 7.456 ( -0.000 2.603 -2.057) 3.317 7.456 ( -0.000 2.603 2.057) 3.317 8.195 ( 0.000 -0.817 -3.330) 3.429 8.195 ( 0.000 -0.817 3.330) 3.429 ======================= Grid point 677 (193/228) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 10.411 -0.000 -11.552) 15.551 1.503 ( 10.411 -0.000 11.552) 15.551 2.155 ( 8.548 -0.000 -14.109) 16.496 2.155 ( 8.548 -0.000 14.109) 16.496 3.367 ( 15.480 -0.000 -6.989) 16.985 3.367 ( 15.480 -0.000 6.989) 16.985 3.778 ( -0.976 0.000 -9.859) 9.907 3.778 ( -0.976 0.000 9.859) 9.907 4.079 ( -0.398 0.000 -8.576) 8.585 4.079 ( -0.398 0.000 8.576) 8.585 4.991 ( 0.398 -0.000 -8.675) 8.684 4.991 ( 0.398 -0.000 8.675) 8.684 5.458 ( -6.152 0.000 -1.990) 6.466 5.458 ( -6.152 0.000 1.990) 6.466 6.056 ( -0.156 0.000 -6.326) 6.328 6.056 ( -0.156 0.000 6.326) 6.328 6.268 ( 6.017 -0.000 -3.160) 6.796 6.268 ( 6.017 -0.000 3.160) 6.796 7.066 ( -1.413 0.000 -11.746) 11.830 7.066 ( -1.413 0.000 11.746) 11.830 7.514 ( 2.010 -0.000 -11.173) 11.352 7.514 ( 2.010 -0.000 11.173) 11.352 7.793 ( -7.042 0.000 -12.314) 14.185 7.793 ( -7.042 0.000 12.314) 14.185 ======================= Grid point 679 (194/228) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 7.609 0.448 -7.789) 10.898 1.675 ( 7.609 0.448 7.789) 10.898 2.312 ( 7.741 0.047 -7.549) 10.813 2.312 ( 7.741 0.047 7.549) 10.813 3.551 ( 3.279 0.020 -5.866) 6.720 3.551 ( 3.279 0.020 5.866) 6.720 3.791 ( 3.191 0.127 -11.067) 11.519 3.791 ( 3.191 0.127 11.067) 11.519 4.113 ( 3.222 -0.036 -4.134) 5.241 4.113 ( 3.222 -0.036 4.134) 5.241 4.984 ( -0.763 -0.219 -5.947) 6.000 4.984 ( -0.763 -0.219 5.947) 6.000 5.346 ( -5.332 0.023 -0.992) 5.423 5.346 ( -5.332 0.023 0.992) 5.423 6.059 ( 0.408 -0.316 -4.354) 4.385 6.059 ( 0.408 -0.316 4.354) 4.385 6.375 ( 4.977 0.171 -3.095) 5.864 6.375 ( 4.977 0.171 3.095) 5.864 7.063 ( 1.229 -0.216 -11.159) 11.228 7.063 ( 1.229 -0.216 11.159) 11.228 7.526 ( -0.626 0.738 -11.413) 11.454 7.526 ( -0.626 0.738 11.413) 11.454 7.665 ( -6.264 -0.073 -14.214) 15.533 7.665 ( -6.264 -0.073 14.214) 15.533 ======================= Grid point 681 (195/228) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 3.112 0.612 -3.715) 4.885 1.775 ( 3.112 0.612 3.715) 4.885 2.434 ( 4.790 0.093 -2.569) 5.436 2.434 ( 4.790 0.093 2.569) 5.436 3.543 ( -2.069 -0.012 -5.395) 5.779 3.543 ( -2.069 -0.012 5.395) 5.779 3.869 ( 3.874 0.142 -5.488) 6.719 3.869 ( 3.874 0.142 5.488) 6.719 4.167 ( 1.841 0.045 -1.503) 2.377 4.167 ( 1.841 0.045 1.503) 2.377 4.980 ( 0.294 -0.373 -3.077) 3.113 4.980 ( 0.294 -0.373 3.077) 3.113 5.265 ( -3.007 0.007 -0.498) 3.048 5.265 ( -3.007 0.007 0.498) 3.048 6.072 ( 0.627 -0.293 -2.535) 2.628 6.072 ( 0.627 -0.293 2.535) 2.628 6.446 ( 2.542 0.267 -1.808) 3.131 6.446 ( 2.542 0.267 1.808) 3.131 7.116 ( 3.911 -0.503 -9.310) 10.111 7.116 ( 3.911 -0.503 9.310) 10.111 7.461 ( -5.648 1.024 -1.986) 6.074 7.461 ( -5.648 1.024 1.986) 6.074 7.586 ( -1.816 -0.152 -5.208) 5.518 7.586 ( -1.816 -0.152 5.208) 5.518 ======================= Grid point 683 (196/228) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -1.829 -0.067 -0.598) 1.925 1.785 ( -1.829 -0.067 0.598) 1.925 2.478 ( -0.298 -0.024 -0.262) 0.398 2.478 ( -0.298 -0.024 0.262) 0.398 3.519 ( 0.052 0.031 -1.010) 1.012 3.519 ( 0.052 0.031 1.010) 1.012 3.906 ( -0.368 -0.014 -0.269) 0.456 3.906 ( -0.368 -0.014 0.269) 0.456 4.180 ( -0.145 0.015 -0.179) 0.231 4.180 ( -0.145 0.015 0.179) 0.231 4.996 ( 1.055 -0.013 -0.683) 1.256 4.996 ( 1.055 -0.013 0.683) 1.256 5.236 ( 0.014 0.014 -0.509) 0.509 5.236 ( 0.014 0.014 0.509) 0.509 6.084 ( 0.567 -0.071 -0.917) 1.080 6.084 ( 0.567 -0.071 0.917) 1.080 6.467 ( -0.250 0.220 -0.147) 0.364 6.467 ( -0.250 0.220 0.147) 0.364 7.189 ( 1.829 -0.550 -3.589) 4.065 7.189 ( 1.829 -0.550 3.589) 4.065 7.354 ( -3.212 0.383 -6.078) 6.885 7.354 ( -3.212 0.383 6.078) 6.885 7.574 ( 0.220 0.030 -2.879) 2.888 7.574 ( 0.220 0.030 2.879) 2.888 ======================= Grid point 685 (197/228) ======================= q-point: (-0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -5.545 -1.274 -5.054) 7.610 1.716 ( -5.545 -1.274 5.054) 7.610 2.425 ( -5.051 -0.180 -2.610) 5.688 2.425 ( -5.051 -0.180 2.610) 5.688 3.545 ( 2.233 0.067 -6.631) 6.997 3.545 ( 2.233 0.067 6.631) 6.997 3.854 ( -4.819 -0.345 -5.150) 7.061 3.854 ( -4.819 -0.345 5.150) 7.061 4.164 ( -1.746 -0.051 -1.336) 2.199 4.164 ( -1.746 -0.051 1.336) 2.199 5.013 ( 0.904 0.671 -2.974) 3.180 5.013 ( 0.904 0.671 2.974) 3.180 5.265 ( 2.925 0.002 -0.441) 2.958 5.265 ( 2.925 0.002 0.441) 2.958 6.096 ( 0.822 0.414 -0.832) 1.241 6.096 ( 0.822 0.414 0.832) 1.241 6.434 ( -3.092 0.017 -1.970) 3.666 6.434 ( -3.092 0.017 1.970) 3.666 7.150 ( -3.806 0.425 -7.157) 8.118 7.150 ( -3.806 0.425 7.157) 8.118 7.372 ( 2.361 -1.656 -6.097) 6.745 7.372 ( 2.361 -1.656 6.097) 6.745 7.598 ( 2.718 0.230 -8.955) 9.361 7.598 ( 2.718 0.230 8.955) 9.361 ======================= Grid point 687 (198/228) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -7.625 -1.987 -9.275) 12.171 1.599 ( -7.625 -1.987 9.275) 12.171 2.305 ( -7.321 -0.141 -7.728) 10.646 2.305 ( -7.321 -0.141 7.728) 10.646 3.547 ( -4.627 -0.133 -6.130) 7.682 3.547 ( -4.627 -0.133 6.130) 7.682 3.770 ( -2.421 -0.529 -11.412) 11.678 3.770 ( -2.421 -0.529 11.412) 11.678 4.117 ( -2.674 0.066 -4.098) 4.893 4.117 ( -2.674 0.066 4.098) 4.893 5.019 ( 0.029 0.865 -5.928) 5.990 5.019 ( 0.029 0.865 5.928) 5.990 5.342 ( 5.034 -0.103 -0.524) 5.062 5.342 ( 5.034 -0.103 0.524) 5.062 6.112 ( 1.476 1.346 -2.369) 3.099 6.112 ( 1.476 1.346 2.369) 3.099 6.354 ( -5.349 -0.357 -3.457) 6.379 6.354 ( -5.349 -0.357 3.457) 6.379 7.097 ( -1.054 0.851 -10.196) 10.286 7.097 ( -1.054 0.851 10.196) 10.286 7.401 ( -0.995 -3.268 -9.461) 10.058 7.401 ( -0.995 -3.268 9.461) 10.058 7.678 ( 5.525 0.345 -12.845) 13.987 7.678 ( 5.525 0.345 12.845) 13.987 ======================= Grid point 689 (199/228) ======================= q-point: (-0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -8.851 -1.598 -12.481) 15.384 1.453 ( -8.851 -1.598 12.481) 15.384 2.160 ( -7.771 0.211 -14.249) 16.232 2.160 ( -7.771 0.211 14.249) 16.232 3.342 ( -15.910 -0.794 -7.189) 17.477 3.342 ( -15.910 -0.794 7.189) 17.477 3.775 ( 1.255 -0.020 -9.618) 9.700 3.775 ( 1.255 -0.020 9.618) 9.700 4.092 ( 0.828 0.285 -8.730) 8.773 4.092 ( 0.828 0.285 8.730) 8.773 4.997 ( -2.276 0.136 -8.610) 8.907 4.997 ( -2.276 0.136 8.610) 8.907 5.450 ( 6.024 -0.267 -1.207) 6.149 5.450 ( 6.024 -0.267 1.207) 6.149 6.132 ( 1.429 2.483 -4.731) 5.531 6.132 ( 1.429 2.483 4.731) 5.531 6.246 ( -5.851 -0.707 -3.346) 6.777 6.246 ( -5.851 -0.707 3.346) 6.777 7.097 ( 1.140 1.308 -11.497) 11.627 7.097 ( 1.140 1.308 11.497) 11.627 7.382 ( -2.900 -4.593 -8.318) 9.935 7.382 ( -2.900 -4.593 8.318) 9.935 7.791 ( 6.392 0.130 -12.102) 13.687 7.791 ( 6.392 0.130 12.102) 13.687 ======================= Grid point 691 (200/228) ======================= q-point: (-0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -9.622 -0.433 -14.449) 17.365 1.283 ( -9.622 -0.433 14.449) 17.365 2.007 ( -8.345 0.707 -19.614) 21.327 2.007 ( -8.345 0.707 19.614) 21.327 2.999 ( -19.738 -0.778 -11.378) 22.796 2.999 ( -19.738 -0.778 11.378) 22.796 3.793 ( 0.683 -0.198 -2.730) 2.821 3.793 ( 0.683 -0.198 2.730) 2.821 4.153 ( 5.617 0.604 -12.598) 13.806 4.153 ( 5.617 0.604 12.598) 13.806 4.928 ( -5.129 -1.039 -10.024) 11.308 4.928 ( -5.129 -1.039 10.024) 11.308 5.558 ( 4.673 -0.324 -1.151) 4.824 5.558 ( 4.673 -0.324 1.151) 4.824 6.104 ( -3.634 1.190 -5.116) 6.387 6.104 ( -3.634 1.190 5.116) 6.387 6.183 ( 0.051 1.149 -3.389) 3.579 6.183 ( 0.051 1.149 3.389) 3.579 7.085 ( -3.412 -0.808 -11.626) 12.143 7.085 ( -3.412 -0.808 11.626) 12.143 7.375 ( 0.605 -2.963 -5.485) 6.263 7.375 ( 0.605 -2.963 5.485) 6.263 7.915 ( 6.571 -0.241 -10.074) 12.030 7.915 ( 6.571 -0.241 10.074) 12.030 ======================= Grid point 693 (201/228) ======================= q-point: (-0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -8.863 0.726 -16.005) 18.310 1.103 ( -8.863 0.726 16.005) 18.310 1.820 ( -11.346 1.026 -21.194) 24.061 1.820 ( -11.346 1.026 21.194) 24.061 2.653 ( -15.813 -0.450 -18.410) 24.273 2.653 ( -15.813 -0.450 18.410) 24.273 3.810 ( 0.851 -0.643 -1.222) 1.622 3.810 ( 0.851 -0.643 1.222) 1.622 4.283 ( 8.005 0.765 -10.119) 12.925 4.283 ( 8.005 0.765 10.119) 12.925 4.827 ( -5.892 -2.164 -8.130) 10.272 4.827 ( -5.892 -2.164 8.130) 10.272 5.604 ( -0.604 -0.433 -2.259) 2.378 5.604 ( -0.604 -0.433 2.259) 2.378 6.041 ( -1.532 0.389 -1.516) 2.191 6.041 ( -1.532 0.389 1.516) 2.191 6.192 ( 1.323 2.140 -6.185) 6.677 6.192 ( 1.323 2.140 6.185) 6.677 6.974 ( -9.125 -4.750 -8.468) 13.324 6.974 ( -9.125 -4.750 8.468) 13.324 7.432 ( 4.025 1.090 -3.805) 5.645 7.432 ( 4.025 1.090 3.805) 5.645 8.038 ( 5.968 -0.689 -7.691) 9.759 8.038 ( 5.968 -0.689 7.691) 9.759 ======================= Grid point 695 (202/228) ======================= q-point: (-0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( -5.114 1.271 -18.283) 19.027 0.960 ( -5.114 1.271 18.283) 19.027 1.579 ( -11.904 1.029 -20.673) 23.877 1.579 ( -11.904 1.029 20.673) 23.877 2.439 ( -6.907 -0.042 -26.315) 27.206 2.439 ( -6.907 -0.042 26.315) 27.206 3.830 ( 0.741 -0.778 -2.410) 2.639 3.830 ( 0.741 -0.778 2.410) 2.639 4.411 ( 4.588 0.517 -1.971) 5.020 4.411 ( 4.588 0.517 1.971) 5.020 4.769 ( -0.801 -3.144 -2.047) 3.836 4.769 ( -0.801 -3.144 2.047) 3.836 5.546 ( -4.857 -0.726 -4.444) 6.623 5.546 ( -4.857 -0.726 4.444) 6.623 6.042 ( 1.231 0.407 -4.187) 4.383 6.042 ( 1.231 0.407 4.187) 4.383 6.201 ( 0.823 2.111 -6.997) 7.355 6.201 ( 0.823 2.111 6.997) 7.355 6.831 ( -8.182 -6.232 -4.900) 11.393 6.831 ( -8.182 -6.232 4.900) 11.393 7.489 ( 2.872 3.378 -3.401) 5.588 7.489 ( 2.872 3.378 3.401) 5.588 8.138 ( 3.780 -1.080 -5.420) 6.696 8.138 ( 3.780 -1.080 5.420) 6.696 ======================= Grid point 697 (203/228) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.000 1.134 -20.387) 20.419 0.905 ( -0.000 1.134 20.387) 20.419 1.443 ( -0.000 0.904 -21.570) 21.589 1.443 ( -0.000 0.904 21.570) 21.589 2.376 ( -0.000 0.163 -29.461) 29.461 2.376 ( -0.000 0.163 29.461) 29.461 3.842 ( 0.000 -0.640 -2.599) 2.677 3.842 ( 0.000 -0.640 2.599) 2.677 4.444 ( -0.000 0.108 -10.130) 10.130 4.444 ( -0.000 0.108 10.130) 10.130 4.803 ( 0.000 -3.333 -8.140) 8.795 4.803 ( 0.000 -3.333 8.140) 8.795 5.489 ( 0.000 -0.731 -4.140) 4.204 5.489 ( 0.000 -0.731 4.140) 4.204 6.057 ( -0.000 0.369 -3.861) 3.879 6.057 ( -0.000 0.369 3.861) 3.879 6.197 ( -0.000 1.912 -6.854) 7.116 6.197 ( -0.000 1.912 6.854) 7.116 6.781 ( 0.000 -6.058 -3.719) 7.109 6.781 ( 0.000 -6.058 3.719) 7.109 7.495 ( -0.000 3.895 -2.970) 4.898 7.495 ( -0.000 3.895 2.970) 4.898 8.183 ( 0.000 -1.208 -4.134) 4.306 8.183 ( 0.000 -1.208 4.134) 4.306 ======================= Grid point 707 (204/228) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.955 -0.000 -3.636) 4.685 1.779 ( 2.955 -0.000 3.636) 4.685 2.434 ( 4.766 -0.000 -2.563) 5.412 2.434 ( 4.766 -0.000 2.563) 5.412 3.543 ( -2.054 0.000 -5.303) 5.687 3.543 ( -2.054 0.000 5.303) 5.687 3.870 ( 3.819 -0.000 -5.515) 6.708 3.870 ( 3.819 -0.000 5.515) 6.708 4.167 ( 1.851 -0.000 -1.509) 2.388 4.167 ( 1.851 -0.000 1.509) 2.388 4.978 ( 0.369 -0.000 -3.070) 3.092 4.978 ( 0.369 -0.000 3.070) 3.092 5.265 ( -3.010 0.000 -0.512) 3.053 5.265 ( -3.010 0.000 0.512) 3.053 6.070 ( 0.710 -0.000 -2.635) 2.729 6.070 ( 0.710 -0.000 2.635) 2.729 6.448 ( 2.517 -0.000 -1.805) 3.097 6.448 ( 2.517 -0.000 1.805) 3.097 7.113 ( 3.883 -0.000 -9.363) 10.136 7.113 ( 3.883 -0.000 9.363) 10.136 7.467 ( -5.875 0.000 -0.128) 5.877 7.467 ( -5.875 0.000 0.128) 5.877 7.585 ( -1.712 0.000 -4.579) 4.889 7.585 ( -1.712 0.000 4.579) 4.889 ======================= Grid point 709 (205/228) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -2.282 -0.030 -0.704) 2.388 1.784 ( -2.282 -0.030 0.704) 2.388 2.478 ( -0.371 -0.011 -0.112) 0.387 2.478 ( -0.371 -0.011 0.112) 0.387 3.519 ( 0.063 0.014 -0.957) 0.959 3.519 ( 0.063 0.014 0.957) 0.959 3.906 ( -0.457 -0.006 -0.325) 0.561 3.906 ( -0.457 -0.006 0.325) 0.561 4.180 ( -0.184 0.007 -0.153) 0.239 4.180 ( -0.184 0.007 0.153) 0.239 4.996 ( 1.316 -0.006 -0.297) 1.349 4.996 ( 1.316 -0.006 0.297) 1.349 5.236 ( 0.017 0.006 -0.575) 0.575 5.236 ( 0.017 0.006 0.575) 0.575 6.083 ( 0.703 -0.031 -1.050) 1.264 6.083 ( 0.703 -0.031 1.050) 1.264 6.469 ( -0.306 0.098 -0.058) 0.327 6.469 ( -0.306 0.098 0.058) 0.327 7.184 ( 2.130 -0.236 -4.170) 4.688 7.184 ( 2.130 -0.236 4.170) 4.688 7.357 ( -3.854 0.161 -6.866) 7.876 7.357 ( -3.854 0.161 6.866) 7.876 7.574 ( 0.271 0.013 -3.253) 3.264 7.574 ( 0.271 0.013 3.253) 3.264 ======================= Grid point 711 (206/228) ======================= q-point: (-0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -5.991 -0.726 -5.321) 8.046 1.704 ( -5.991 -0.726 5.321) 8.046 2.423 ( -5.078 -0.100 -2.607) 5.709 2.423 ( -5.078 -0.100 2.607) 5.709 3.546 ( 2.251 0.041 -6.831) 7.193 3.546 ( 2.251 0.041 6.831) 7.193 3.851 ( -5.009 -0.198 -5.103) 7.153 3.851 ( -5.009 -0.198 5.103) 7.153 4.163 ( -1.742 -0.028 -1.290) 2.168 4.163 ( -1.742 -0.028 1.290) 2.168 5.019 ( 1.131 0.373 -2.906) 3.140 5.019 ( 1.131 0.373 2.906) 3.140 5.265 ( 2.902 0.002 -0.477) 2.941 5.265 ( 2.902 0.002 0.477) 2.941 6.099 ( 1.113 0.213 -0.454) 1.220 6.099 ( 1.113 0.213 0.454) 1.220 6.435 ( -3.206 0.069 -2.004) 3.781 6.435 ( -3.206 0.069 2.004) 3.781 7.154 ( -3.611 0.151 -6.256) 7.225 7.154 ( -3.611 0.151 6.256) 7.225 7.358 ( 1.650 -0.872 -6.779) 7.031 7.358 ( 1.650 -0.872 6.779) 7.031 7.601 ( 2.820 0.127 -9.319) 9.737 7.601 ( 2.820 0.127 9.319) 9.737 ======================= Grid point 713 (207/228) ======================= q-point: (-0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -7.619 -1.407 -9.680) 12.399 1.579 ( -7.619 -1.407 9.680) 12.399 2.304 ( -7.204 -0.089 -7.766) 10.593 2.304 ( -7.204 -0.089 7.766) 10.593 3.546 ( -5.022 -0.101 -6.210) 7.987 3.546 ( -5.022 -0.101 6.210) 7.987 3.764 ( -2.145 -0.367 -11.534) 11.738 3.764 ( -2.145 -0.367 11.534) 11.738 4.118 ( -2.586 0.031 -4.066) 4.819 4.118 ( -2.586 0.031 4.066) 4.819 5.028 ( -0.175 0.595 -5.928) 5.961 5.028 ( -0.175 0.595 5.928) 5.961 5.341 ( 4.952 -0.073 -0.335) 4.964 5.341 ( 4.952 -0.073 0.335) 4.964 6.126 ( 1.999 0.918 -1.821) 2.856 6.126 ( 1.999 0.918 1.821) 2.856 6.351 ( -5.517 -0.152 -3.621) 6.601 6.351 ( -5.517 -0.152 3.621) 6.601 7.105 ( -0.751 0.601 -9.566) 9.615 7.105 ( -0.751 0.601 9.566) 9.615 7.368 ( -1.727 -2.334 -9.171) 9.620 7.368 ( -1.727 -2.334 9.171) 9.620 7.681 ( 5.477 0.243 -12.669) 13.804 7.681 ( 5.477 0.243 12.669) 13.804 ======================= Grid point 715 (208/228) ======================= q-point: (-0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -8.310 -1.311 -12.784) 15.304 1.436 ( -8.310 -1.311 12.784) 15.304 2.163 ( -7.499 0.191 -14.291) 16.140 2.163 ( -7.499 0.191 14.291) 16.140 3.334 ( -16.057 -0.659 -7.268) 17.637 3.334 ( -16.057 -0.659 7.268) 17.637 3.775 ( 1.388 0.013 -9.597) 9.697 3.775 ( 1.388 0.013 9.597) 9.697 4.095 ( 0.938 0.182 -8.818) 8.869 4.095 ( 0.938 0.182 8.818) 8.869 4.998 ( -2.879 0.094 -8.590) 9.061 4.998 ( -2.879 0.094 8.590) 9.061 5.447 ( 5.950 -0.227 -0.892) 6.021 5.447 ( 5.950 -0.227 0.892) 6.021 6.158 ( 1.931 2.041 -4.153) 5.014 6.158 ( 1.931 2.041 4.153) 5.014 6.239 ( -5.991 -0.554 -3.565) 6.993 6.239 ( -5.991 -0.554 3.565) 6.993 7.113 ( 1.324 1.496 -11.445) 11.618 7.113 ( 1.324 1.496 11.445) 11.618 7.331 ( -3.381 -4.188 -6.851) 8.713 7.331 ( -3.381 -4.188 6.851) 8.713 7.793 ( 6.263 0.170 -11.881) 13.432 7.793 ( 6.263 0.170 11.881) 13.432 ======================= Grid point 717 (209/228) ======================= q-point: (-0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -8.836 -0.381 -14.308) 16.821 1.278 ( -8.836 -0.381 14.308) 16.821 2.016 ( -8.054 0.682 -19.582) 21.185 2.016 ( -8.054 0.682 19.582) 21.185 2.990 ( -19.644 -0.762 -11.226) 22.638 2.990 ( -19.644 -0.762 11.226) 22.638 3.791 ( 0.464 -0.097 -2.753) 2.794 3.791 ( 0.464 -0.097 2.753) 2.794 4.159 ( 5.773 0.468 -12.734) 13.989 4.159 ( 5.773 0.468 12.734) 13.989 4.917 ( -5.790 -0.910 -9.931) 11.531 4.917 ( -5.790 -0.910 9.931) 11.531 5.554 ( 4.621 -0.352 -0.870) 4.716 5.554 ( 4.621 -0.352 0.870) 4.716 6.113 ( -4.842 0.432 -4.146) 6.390 6.113 ( -4.842 0.432 4.146) 6.390 6.199 ( 1.417 1.636 -4.157) 4.687 6.199 ( 1.417 1.636 4.157) 4.687 7.074 ( -6.203 -0.983 -10.958) 12.630 7.074 ( -6.203 -0.983 10.958) 12.630 7.344 ( 3.329 -2.361 -3.849) 5.610 7.344 ( 3.329 -2.361 3.849) 5.610 7.913 ( 6.397 -0.064 -10.032) 11.898 7.913 ( 6.397 -0.064 10.032) 11.898 ======================= Grid point 719 (210/228) ======================= q-point: (-0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -8.181 0.856 -15.247) 17.324 1.112 ( -8.181 0.856 15.247) 17.324 1.832 ( -11.203 1.091 -20.986) 23.814 1.832 ( -11.203 1.091 20.986) 23.814 2.647 ( -15.649 -0.600 -18.057) 23.902 2.647 ( -15.649 -0.600 18.057) 23.902 3.803 ( 0.643 -0.535 -1.085) 1.370 3.803 ( 0.643 -0.535 1.085) 1.370 4.291 ( 7.994 0.683 -10.297) 13.053 4.291 ( 7.994 0.683 10.297) 13.053 4.803 ( -6.518 -1.998 -7.925) 10.453 4.803 ( -6.518 -1.998 7.925) 10.453 5.599 ( -0.818 -0.559 -2.268) 2.475 5.599 ( -0.818 -0.559 2.268) 2.475 6.045 ( -1.529 0.292 -1.494) 2.157 6.045 ( -1.529 0.292 1.494) 2.157 6.217 ( 1.398 2.119 -6.393) 6.879 6.217 ( 1.398 2.119 6.393) 6.879 6.920 ( -10.626 -4.489 -6.189) 13.090 6.920 ( -10.626 -4.489 6.189) 13.090 7.445 ( 5.846 1.074 -3.435) 6.865 7.445 ( 5.846 1.074 3.435) 6.865 8.031 ( 5.777 -0.432 -7.998) 9.876 8.031 ( 5.777 -0.432 7.998) 9.876 ======================= Grid point 721 (211/228) ======================= q-point: (-0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -4.765 1.744 -17.078) 17.816 0.977 ( -4.765 1.744 17.078) 17.816 1.592 ( -11.898 1.177 -20.314) 23.571 1.592 ( -11.898 1.177 20.314) 23.571 2.437 ( -6.761 -0.272 -25.886) 26.756 2.437 ( -6.761 -0.272 25.886) 26.756 3.821 ( 0.696 -0.840 -2.257) 2.507 3.821 ( 0.696 -0.840 2.257) 2.507 4.417 ( 4.317 0.555 -1.913) 4.755 4.417 ( 4.317 0.555 1.913) 4.755 4.733 ( -1.293 -3.088 -2.693) 4.296 4.733 ( -1.293 -3.088 2.693) 4.296 5.537 ( -5.023 -0.867 -4.326) 6.685 5.537 ( -5.023 -0.867 4.326) 6.685 6.047 ( 1.265 0.447 -4.171) 4.381 6.047 ( 1.265 0.447 4.171) 4.381 6.226 ( 0.795 2.146 -7.083) 7.444 6.226 ( 0.795 2.146 7.083) 7.444 6.760 ( -8.414 -5.912 -2.325) 10.543 6.760 ( -8.414 -5.912 2.325) 10.543 7.527 ( 3.685 3.145 -3.954) 6.254 7.527 ( 3.685 3.145 3.954) 6.254 8.127 ( 3.640 -0.838 -6.134) 7.182 8.127 ( 3.640 -0.838 6.134) 7.182 ======================= Grid point 723 (212/228) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -0.000 1.835 -19.163) 19.250 0.922 ( -0.000 1.835 19.163) 19.250 1.455 ( -0.000 1.121 -21.210) 21.240 1.455 ( -0.000 1.121 21.210) 21.240 2.377 ( 0.000 -0.025 -29.012) 29.012 2.377 ( 0.000 -0.025 29.012) 29.012 3.833 ( 0.000 -0.854 -2.439) 2.585 3.833 ( 0.000 -0.854 2.439) 2.585 4.445 ( -0.000 0.138 -10.181) 10.182 4.445 ( -0.000 0.138 10.181) 10.182 4.762 ( 0.000 -3.584 -9.852) 10.483 4.762 ( 0.000 -3.584 9.852) 10.483 5.480 ( 0.000 -0.902 -4.225) 4.320 5.480 ( 0.000 -0.902 4.225) 4.320 6.061 ( -0.000 0.447 -4.025) 4.049 6.061 ( -0.000 0.447 4.025) 4.049 6.221 ( -0.000 2.161 -6.891) 7.222 6.221 ( -0.000 2.161 6.891) 7.222 6.708 ( 0.000 -6.268 -1.374) 6.417 6.708 ( 0.000 -6.268 1.374) 6.417 7.541 ( -0.000 3.988 -3.899) 5.578 7.541 ( -0.000 3.988 3.899) 5.578 8.169 ( 0.000 -1.111 -5.051) 5.172 8.169 ( 0.000 -1.111 5.051) 5.172 ======================= Grid point 737 (213/228) ======================= q-point: (-0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -6.151 0.000 -5.418) 8.197 1.700 ( -6.151 0.000 5.418) 8.197 2.423 ( -5.087 0.000 -2.605) 5.715 2.423 ( -5.087 0.000 2.605) 5.715 3.546 ( 2.257 -0.000 -6.902) 7.262 3.546 ( 2.257 -0.000 6.902) 7.262 3.850 ( -5.077 0.000 -5.087) 7.187 3.850 ( -5.077 0.000 5.087) 7.187 4.163 ( -1.742 0.000 -1.272) 2.157 4.163 ( -1.742 0.000 1.272) 2.157 5.022 ( 1.213 -0.000 -2.877) 3.122 5.022 ( 1.213 -0.000 2.877) 3.122 5.265 ( 2.893 -0.000 -0.494) 2.935 5.265 ( 2.893 -0.000 0.494) 2.935 6.100 ( 1.217 -0.000 -0.281) 1.249 6.100 ( 1.217 -0.000 0.281) 1.249 6.435 ( -3.245 0.000 -2.015) 3.820 6.435 ( -3.245 0.000 2.015) 3.820 7.154 ( -3.522 0.000 -5.868) 6.844 7.154 ( -3.522 0.000 5.868) 6.844 7.352 ( 1.378 -0.000 -7.062) 7.195 7.352 ( 1.378 -0.000 7.062) 7.195 7.601 ( 2.854 -0.000 -9.441) 9.863 7.601 ( 2.854 -0.000 9.441) 9.863 ======================= Grid point 741 (214/228) ======================= q-point: (-0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -7.614 -0.509 -9.911) 12.508 1.568 ( -7.614 -0.509 9.911) 12.508 2.303 ( -7.137 -0.030 -7.786) 10.562 2.303 ( -7.137 -0.030 7.786) 10.562 3.545 ( -5.252 -0.038 -6.258) 8.170 3.545 ( -5.252 -0.038 6.258) 8.170 3.761 ( -1.977 -0.131 -11.610) 11.778 3.761 ( -1.977 -0.131 11.610) 11.778 4.118 ( -2.544 0.008 -4.045) 4.778 4.118 ( -2.544 0.008 4.045) 4.778 5.032 ( -0.292 0.212 -5.929) 5.940 5.032 ( -0.292 0.212 5.929) 5.940 5.340 ( 4.905 -0.026 -0.138) 4.907 5.340 ( 4.905 -0.026 0.138) 4.907 6.133 ( 2.290 0.322 -1.508) 2.761 6.133 ( 2.290 0.322 1.508) 2.761 6.350 ( -5.613 -0.032 -3.721) 6.734 6.350 ( -5.613 -0.032 3.721) 6.734 7.110 ( -0.497 0.219 -9.047) 9.064 7.110 ( -0.497 0.219 9.047) 9.064 7.350 ( -2.220 -0.851 -9.059) 9.366 7.350 ( -2.220 -0.851 9.059) 9.366 7.683 ( 5.460 0.088 -12.590) 13.723 7.683 ( 5.460 0.088 12.590) 13.723 ======================= Grid point 743 (215/228) ======================= q-point: (-0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -7.926 -0.739 -12.991) 15.236 1.424 ( -7.926 -0.738 12.991) 15.236 2.165 ( -7.307 0.114 -14.319) 16.076 2.165 ( -7.307 0.114 14.319) 16.076 3.328 ( -16.161 -0.374 -7.328) 17.749 3.328 ( -16.161 -0.374 7.328) 17.749 3.775 ( 1.491 0.017 -9.598) 9.713 3.775 ( 1.491 0.017 9.598) 9.713 4.096 ( 1.009 0.084 -8.888) 8.945 4.096 ( 1.009 0.084 8.888) 8.945 4.999 ( -3.294 0.047 -8.573) 9.184 4.999 ( -3.294 0.047 8.573) 9.184 5.445 ( 5.891 -0.131 -0.603) 5.924 5.445 ( 5.891 -0.131 0.603) 5.924 6.177 ( 2.375 1.130 -3.639) 4.490 6.177 ( 2.375 1.130 3.639) 4.490 6.234 ( -6.221 -0.278 -3.869) 7.331 6.234 ( -6.221 -0.278 3.869) 7.331 7.130 ( 1.809 1.246 -11.538) 11.745 7.130 ( 1.809 1.246 11.538) 11.745 7.290 ( -4.040 -2.760 -5.085) 7.057 7.290 ( -4.040 -2.760 5.085) 7.057 7.794 ( 6.193 0.114 -11.729) 13.264 7.794 ( 6.193 0.114 11.729) 13.264 ======================= Grid point 745 (216/228) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -8.171 -0.257 -14.165) 16.355 1.275 ( -8.171 -0.257 14.165) 16.355 2.023 ( -7.811 0.499 -19.556) 21.064 2.023 ( -7.811 0.499 19.556) 21.064 2.982 ( -19.598 -0.564 -11.124) 22.542 2.982 ( -19.598 -0.564 11.124) 22.542 3.791 ( 0.306 -0.026 -2.804) 2.820 3.791 ( 0.306 -0.026 2.804) 2.820 4.163 ( 5.895 0.287 -12.878) 14.166 4.163 ( 5.895 0.287 12.878) 14.166 4.908 ( -6.285 -0.618 -9.861) 11.710 4.908 ( -6.285 -0.618 9.861) 11.710 5.551 ( 4.555 -0.273 -0.554) 4.596 5.551 ( 4.555 -0.273 0.554) 4.596 6.115 ( -5.222 0.041 -3.601) 6.343 6.115 ( -5.222 0.041 3.601) 6.343 6.217 ( 1.874 1.367 -4.591) 5.144 6.217 ( 1.874 1.367 4.591) 5.144 7.063 ( -8.642 -0.839 -10.211) 13.403 7.063 ( -8.642 -0.839 10.211) 13.403 7.322 ( 5.794 -1.433 -2.410) 6.436 7.322 ( 5.794 -1.433 2.410) 6.436 7.913 ( 6.281 0.023 -9.954) 11.770 7.913 ( 6.281 0.023 9.954) 11.770 ======================= Grid point 747 (217/228) ======================= q-point: (-0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -7.478 0.783 -14.485) 16.321 1.122 ( -7.478 0.783 14.485) 16.321 1.844 ( -11.070 0.928 -20.796) 23.578 1.844 ( -11.070 0.928 20.796) 23.578 2.639 ( -15.555 -0.598 -17.783) 23.633 2.639 ( -15.555 -0.598 17.783) 23.633 3.798 ( 0.439 -0.359 -0.899) 1.063 3.798 ( 0.439 -0.359 0.899) 1.063 4.298 ( 8.000 0.495 -10.470) 13.186 4.298 ( 8.000 0.495 10.470) 13.186 4.782 ( -6.994 -1.498 -7.806) 10.587 4.782 ( -6.994 -1.498 7.806) 10.587 5.592 ( -1.010 -0.524 -2.295) 2.562 5.592 ( -1.010 -0.524 2.295) 2.562 6.048 ( -1.417 0.173 -1.284) 1.920 6.048 ( -1.417 0.173 1.284) 1.920 6.239 ( 1.323 1.669 -6.552) 6.889 6.239 ( 1.323 1.669 6.552) 6.889 6.874 ( -11.572 -3.402 -4.372) 12.829 6.874 ( -11.572 -3.402 4.372) 12.829 7.456 ( 7.178 0.854 -3.115) 7.871 7.456 ( 7.178 0.854 3.115) 7.871 8.028 ( 5.640 -0.196 -8.171) 9.930 8.028 ( 5.640 -0.196 8.171) 9.930 ======================= Grid point 749 (218/228) ======================= q-point: (-0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -4.292 1.870 -15.734) 16.415 0.999 ( -4.292 1.870 15.734) 16.415 1.605 ( -11.924 1.098 -19.936) 23.256 1.605 ( -11.924 1.098 19.936) 23.256 2.432 ( -6.648 -0.459 -25.528) 26.384 2.432 ( -6.648 -0.459 25.528) 26.384 3.811 ( 0.587 -0.730 -2.056) 2.259 3.811 ( 0.587 -0.730 2.056) 2.259 4.423 ( 4.082 0.484 -1.750) 4.468 4.423 ( 4.082 0.484 1.750) 4.468 4.700 ( -1.643 -2.467 -3.102) 4.290 4.700 ( -1.643 -2.467 3.102) 4.290 5.527 ( -5.123 -0.823 -4.280) 6.726 5.527 ( -5.123 -0.823 4.280) 6.726 6.052 ( 1.302 0.395 -4.126) 4.345 6.052 ( 1.302 0.395 4.126) 4.345 6.249 ( 0.720 1.764 -7.228) 7.475 6.249 ( 0.720 1.764 7.228) 7.475 6.699 ( -8.447 -4.632 -0.912) 9.677 6.699 ( -8.447 -4.632 0.912) 9.677 7.559 ( 4.344 2.484 -4.295) 6.594 7.559 ( 4.344 2.484 4.295) 6.594 8.119 ( 3.534 -0.492 -6.679) 7.573 8.119 ( 3.534 -0.492 6.679) 7.573 ======================= Grid point 751 (219/228) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.000 2.300 -17.655) 17.804 0.946 ( -0.000 2.300 17.655) 17.804 1.468 ( -0.000 1.115 -20.817) 20.847 1.468 ( -0.000 1.115 20.817) 20.847 2.375 ( 0.000 -0.284 -28.583) 28.585 2.375 ( 0.000 -0.284 28.583) 28.585 3.823 ( 0.000 -0.898 -2.256) 2.428 3.823 ( 0.000 -0.898 2.256) 2.428 4.447 ( -0.000 0.140 -10.241) 10.241 4.447 ( -0.000 0.140 10.241) 10.241 4.723 ( 0.000 -3.035 -11.117) 11.524 4.723 ( 0.000 -3.035 11.117) 11.524 5.469 ( 0.000 -0.893 -4.318) 4.410 5.469 ( 0.000 -0.893 4.318) 4.410 6.066 ( -0.000 0.433 -4.187) 4.209 6.066 ( -0.000 0.433 4.187) 4.209 6.245 ( -0.000 1.934 -7.009) 7.271 6.245 ( -0.000 1.934 7.009) 7.271 6.641 ( 0.000 -5.252 -1.641) 5.502 6.641 ( 0.000 -5.252 1.641) 5.502 7.584 ( -0.000 3.384 -4.549) 5.669 7.584 ( -0.000 3.384 4.549) 5.669 8.158 ( 0.000 -0.756 -5.844) 5.893 8.158 ( 0.000 -0.756 5.844) 5.893 ======================= Grid point 769 (220/228) ======================= q-point: (-0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -7.786 0.000 -13.064) 15.208 1.420 ( -7.786 0.000 13.064) 15.208 2.165 ( -7.237 0.000 -14.329) 16.053 2.165 ( -7.237 0.000 14.329) 16.053 3.326 ( -16.200 0.000 -7.350) 17.789 3.326 ( -16.200 0.000 7.350) 17.789 3.776 ( 1.530 -0.000 -9.601) 9.722 3.776 ( 1.530 -0.000 9.601) 9.722 4.097 ( 1.033 -0.000 -8.915) 8.974 4.097 ( 1.033 -0.000 8.915) 8.974 4.999 ( -3.442 0.000 -8.565) 9.231 4.999 ( -3.442 0.000 8.565) 9.231 5.444 ( 5.869 -0.000 -0.462) 5.887 5.444 ( 5.869 -0.000 0.462) 5.887 6.183 ( 2.562 -0.000 -3.400) 4.257 6.183 ( 2.562 -0.000 3.400) 4.257 6.232 ( -6.339 0.000 -4.042) 7.518 6.232 ( -6.339 0.000 4.042) 7.518 7.138 ( 2.211 -0.000 -11.666) 11.874 7.138 ( 2.211 -0.000 11.666) 11.874 7.273 ( -4.497 0.000 -3.708) 5.828 7.273 ( -4.497 0.000 3.708) 5.828 7.795 ( 6.171 -0.000 -11.676) 13.207 7.795 ( 6.171 -0.000 11.676) 13.207 ======================= Grid point 773 (221/228) ======================= q-point: (-0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -7.790 -0.090 -14.073) 16.085 1.273 ( -7.790 -0.090 14.073) 16.085 2.027 ( -7.670 0.183 -19.542) 20.995 2.027 ( -7.670 0.183 19.542) 20.995 2.977 ( -19.585 -0.209 -11.076) 22.500 2.977 ( -19.585 -0.209 11.076) 22.500 3.791 ( 0.225 -0.002 -2.843) 2.852 3.791 ( 0.225 -0.002 2.843) 2.852 4.166 ( 5.962 0.095 -12.971) 14.276 4.166 ( 5.962 0.095 12.971) 14.276 4.903 ( -6.547 -0.219 -9.821) 11.805 4.903 ( -6.547 -0.219 9.821) 11.805 5.548 ( 4.510 -0.103 -0.248) 4.518 5.548 ( 4.510 -0.103 0.248) 4.518 6.115 ( -5.272 -0.022 -3.396) 6.271 6.115 ( -5.272 -0.022 3.396) 6.271 6.229 ( 1.946 0.520 -4.758) 5.166 6.229 ( 1.946 0.520 4.758) 5.166 7.056 ( -10.013 -0.332 -9.718) 13.957 7.056 ( -10.013 -0.332 9.718) 13.957 7.311 ( 7.210 -0.469 -1.459) 7.371 7.311 ( 7.210 -0.469 1.459) 7.371 7.913 ( 6.225 0.020 -9.900) 11.695 7.913 ( 6.225 0.020 9.900) 11.695 ======================= Grid point 775 (222/228) ======================= q-point: (-0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -6.944 0.472 -13.913) 15.556 1.130 ( -6.944 0.472 13.913) 15.556 1.853 ( -10.975 0.538 -20.666) 23.405 1.853 ( -10.975 0.538 20.666) 23.405 2.634 ( -15.520 -0.380 -17.622) 23.485 2.634 ( -15.520 -0.380 17.622) 23.485 3.795 ( 0.291 -0.174 -0.718) 0.794 3.795 ( 0.291 -0.174 0.718) 0.794 4.302 ( 8.011 0.257 -10.598) 13.287 4.302 ( 8.011 0.257 10.598) 13.287 4.769 ( -7.278 -0.795 -7.751) 10.662 4.769 ( -7.278 -0.795 7.751) 10.662 5.587 ( -1.142 -0.316 -2.328) 2.612 5.587 ( -1.142 -0.316 2.328) 2.612 6.050 ( -1.293 0.074 -1.020) 1.648 6.050 ( -1.293 0.074 1.020) 1.648 6.254 ( 1.205 0.911 -6.663) 6.832 6.254 ( 1.205 0.911 6.663) 6.832 6.844 ( -12.054 -1.810 -3.213) 12.606 6.844 ( -12.054 -1.810 3.213) 12.606 7.464 ( 7.976 0.472 -2.903) 8.501 7.464 ( 7.976 0.472 2.903) 8.501 8.026 ( 5.562 -0.060 -8.251) 9.951 8.026 ( 5.562 -0.060 8.251) 9.951 ======================= Grid point 777 (223/228) ======================= q-point: (-0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -3.825 1.458 -14.557) 15.122 1.018 ( -3.825 1.458 14.557) 15.122 1.616 ( -11.973 0.786 -19.622) 23.000 1.616 ( -11.973 0.786 19.622) 23.000 2.427 ( -6.580 -0.442 -25.300) 26.145 2.427 ( -6.580 -0.442 25.300) 26.145 3.804 ( 0.461 -0.488 -1.845) 1.964 3.804 ( 0.461 -0.488 1.845) 1.964 4.428 ( 3.917 0.325 -1.511) 4.211 4.428 ( 3.917 0.325 1.511) 4.211 4.677 ( -1.834 -1.552 -3.298) 4.080 4.677 ( -1.834 -1.552 3.298) 4.080 5.519 ( -5.165 -0.589 -4.285) 6.737 5.519 ( -5.165 -0.589 4.285) 6.737 6.056 ( 1.337 0.268 -4.071) 4.293 6.056 ( 1.337 0.268 4.071) 4.293 6.265 ( 0.625 1.125 -7.394) 7.505 6.265 ( 0.625 1.125 7.394) 7.505 6.655 ( -8.372 -2.878 -1.439) 8.969 6.655 ( -8.372 -2.878 1.439) 8.969 7.583 ( 4.789 1.577 -4.482) 6.747 7.583 ( 4.789 1.577 4.482) 6.747 8.115 ( 3.471 -0.218 -7.033) 7.846 8.115 ( 3.471 -0.218 7.033) 7.846 ======================= Grid point 779 (224/228) ======================= q-point: (-0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.000 2.177 -16.175) 16.321 0.973 ( -0.000 2.177 16.175) 16.321 1.479 ( -0.000 0.889 -20.469) 20.489 1.479 ( -0.000 0.889 20.469) 20.489 2.371 ( 0.000 -0.423 -28.268) 28.271 2.371 ( 0.000 -0.423 28.268) 28.271 3.813 ( 0.000 -0.738 -2.063) 2.191 3.813 ( 0.000 -0.738 2.063) 2.191 4.448 ( -0.000 0.114 -10.296) 10.296 4.448 ( -0.000 0.114 10.296) 10.296 4.693 ( 0.000 -2.090 -11.851) 12.034 4.693 ( 0.000 -2.090 11.851) 12.034 5.460 ( 0.000 -0.710 -4.402) 4.459 5.460 ( 0.000 -0.710 4.402) 4.459 6.071 ( -0.000 0.338 -4.319) 4.333 6.071 ( -0.000 0.338 4.319) 4.333 6.264 ( -0.000 1.389 -7.201) 7.334 6.264 ( -0.000 1.389 7.201) 7.334 6.590 ( 0.000 -3.631 -2.808) 4.590 6.590 ( 0.000 -3.631 2.808) 4.590 7.618 ( -0.000 2.410 -4.946) 5.501 7.618 ( -0.000 2.410 4.946) 5.501 8.151 ( 0.000 -0.393 -6.422) 6.434 8.151 ( 0.000 -0.393 6.422) 6.434 ======================= Grid point 801 (225/228) ======================= q-point: (-0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -6.743 0.000 -13.699) 15.269 1.132 ( -6.743 0.000 13.699) 15.269 1.856 ( -10.940 0.000 -20.620) 23.342 1.856 ( -10.940 0.000 20.620) 23.342 2.631 ( -15.514 0.000 -17.572) 23.440 2.631 ( -15.514 0.000 17.572) 23.440 3.794 ( 0.237 -0.000 -0.635) 0.678 3.794 ( 0.237 -0.000 0.635) 0.678 4.304 ( 8.016 -0.000 -10.645) 13.326 4.304 ( 8.016 -0.000 10.645) 13.326 4.764 ( -7.372 0.000 -7.736) 10.686 4.764 ( -7.372 0.000 7.736) 10.686 5.585 ( -1.188 0.000 -2.342) 2.627 5.585 ( -1.188 0.000 2.342) 2.627 6.050 ( -1.241 0.000 -0.889) 1.526 6.050 ( -1.241 0.000 0.889) 1.526 6.259 ( 1.151 -0.000 -6.705) 6.803 6.259 ( 1.151 -0.000 6.705) 6.803 6.833 ( -12.198 0.000 -2.808) 12.517 6.833 ( -12.198 0.000 2.808) 12.517 7.467 ( 8.241 -0.000 -2.831) 8.713 7.467 ( 8.241 -0.000 2.831) 8.713 8.026 ( 5.537 -0.000 -8.274) 9.956 8.026 ( 5.537 -0.000 8.274) 9.956 ======================= Grid point 805 (226/228) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -3.533 0.553 -13.866) 14.319 1.030 ( -3.533 0.553 13.866) 14.319 1.623 ( -12.012 0.286 -19.442) 22.855 1.623 ( -12.012 0.286 19.442) 22.855 2.423 ( -6.551 -0.184 -25.199) 26.037 2.423 ( -6.551 -0.184 25.199) 26.037 3.800 ( 0.380 -0.171 -1.702) 1.752 3.800 ( 0.380 -0.171 1.702) 1.752 4.430 ( 3.834 0.114 -1.310) 4.053 4.430 ( 3.834 0.114 1.310) 4.053 4.665 ( -1.910 -0.526 -3.364) 3.904 4.665 ( -1.910 -0.526 3.364) 3.904 5.514 ( -5.175 -0.214 -4.301) 6.732 5.514 ( -5.175 -0.214 4.301) 6.732 6.058 ( 1.358 0.095 -4.032) 4.256 6.058 ( 1.358 0.094 4.032) 4.256 6.274 ( 0.558 0.381 -7.508) 7.538 6.274 ( 0.558 0.381 7.508) 7.538 6.633 ( -8.299 -0.967 -1.938) 8.577 6.633 ( -8.299 -0.967 1.938) 8.577 7.595 ( 5.010 0.540 -4.566) 6.800 7.595 ( 5.010 0.540 4.566) 6.800 8.114 ( 3.443 -0.056 -7.205) 7.986 8.114 ( 3.443 -0.056 7.205) 7.986 ======================= Grid point 807 (227/228) ======================= q-point: (-0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.000 1.336 -15.087) 15.146 0.994 ( -0.000 1.336 15.087) 15.146 1.488 ( -0.000 0.492 -20.232) 20.238 1.488 ( -0.000 0.492 20.232) 20.238 2.367 ( 0.000 -0.312 -28.095) 28.097 2.367 ( 0.000 -0.312 28.095) 28.097 3.806 ( 0.000 -0.413 -1.900) 1.944 3.806 ( 0.000 -0.413 1.900) 1.944 4.449 ( -0.000 0.064 -10.335) 10.335 4.449 ( -0.000 0.064 10.335) 10.335 4.675 ( 0.000 -1.043 -12.183) 12.227 4.675 ( 0.000 -1.043 12.183) 12.227 5.453 ( 0.000 -0.392 -4.460) 4.477 5.453 ( 0.000 -0.392 4.460) 4.477 6.074 ( -0.000 0.184 -4.404) 4.408 6.074 ( -0.000 0.184 4.404) 4.408 6.276 ( -0.000 0.704 -7.397) 7.431 6.276 ( -0.000 0.704 7.397) 7.431 6.558 ( 0.000 -1.818 -3.505) 3.948 6.558 ( 0.000 -1.818 3.505) 3.948 7.639 ( -0.000 1.245 -5.158) 5.306 7.639 ( -0.000 1.245 5.158) 5.306 8.148 ( 0.000 -0.147 -6.768) 6.769 8.148 ( 0.000 -0.147 6.768) 6.769 ======================= Grid point 835 (228/228) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -0.000 0.000 -14.686) 14.686 1.002 ( -0.000 0.000 14.686) 14.686 1.490 ( -0.000 0.000 -20.148) 20.148 1.490 ( -0.000 0.000 20.148) 20.148 2.365 ( -0.000 0.000 -28.043) 28.043 2.365 ( -0.000 0.000 28.043) 28.043 3.804 ( -0.000 0.000 -1.833) 1.833 3.804 ( -0.000 0.000 1.833) 1.833 4.450 ( -0.000 0.000 -10.349) 10.349 4.450 ( -0.000 0.000 10.349) 10.349 4.669 ( -0.000 0.000 -12.272) 12.272 4.669 ( -0.000 0.000 12.272) 12.272 5.451 ( 0.000 -0.000 -4.481) 4.481 5.451 ( -0.000 0.000 4.481) 4.481 6.075 ( -0.000 0.000 -4.433) 4.433 6.075 ( -0.000 0.000 4.433) 4.433 6.280 ( -0.000 0.000 -7.482) 7.482 6.280 ( -0.000 0.000 7.482) 7.482 6.548 ( -0.000 0.000 -3.730) 3.730 6.548 ( -0.000 0.000 3.730) 3.730 7.646 ( -0.000 0.000 -5.225) 5.225 7.646 ( -0.000 0.000 5.225) 5.225 8.148 ( -0.000 0.000 -6.882) 6.882 8.148 ( -0.000 0.000 6.882) 6.882 =================== 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 3/28224 10.0 165.118 28.153 124.858 0.000 0.000 -0.000 3/28224 20.0 146.900 10.598 95.668 0.000 0.000 -0.000 3/28224 30.0 100.328 6.160 62.530 0.000 0.000 -0.000 3/28224 40.0 68.094 4.174 41.582 0.000 0.000 -0.000 3/28224 50.0 48.715 3.105 29.477 0.000 0.000 -0.000 3/28224 60.0 36.884 2.462 22.274 0.000 0.000 -0.000 3/28224 70.0 29.296 2.040 17.728 0.000 0.000 -0.000 3/28224 80.0 24.162 1.744 14.682 0.000 0.000 -0.000 3/28224 90.0 20.517 1.526 12.530 0.000 0.000 -0.000 3/28224 100.0 17.818 1.358 10.939 0.000 0.000 -0.000 3/28224 110.0 15.750 1.225 9.718 0.000 0.000 -0.000 3/28224 120.0 14.119 1.117 8.753 0.000 0.000 -0.000 3/28224 130.0 12.801 1.027 7.969 0.000 0.000 -0.000 3/28224 140.0 11.714 0.951 7.321 0.000 0.000 -0.000 3/28224 150.0 10.802 0.886 6.775 0.000 0.000 -0.000 3/28224 160.0 10.027 0.829 6.307 0.000 0.000 -0.000 3/28224 170.0 9.358 0.780 5.903 0.000 0.000 -0.000 3/28224 180.0 8.776 0.736 5.550 0.000 0.000 -0.000 3/28224 190.0 8.265 0.697 5.237 0.000 0.000 -0.000 3/28224 200.0 7.811 0.662 4.960 0.000 0.000 -0.000 3/28224 210.0 7.406 0.630 4.711 0.000 0.000 -0.000 3/28224 220.0 7.042 0.601 4.486 0.000 0.000 -0.000 3/28224 230.0 6.713 0.575 4.283 0.000 0.000 -0.000 3/28224 240.0 6.414 0.551 4.098 0.000 0.000 -0.000 3/28224 250.0 6.142 0.529 3.928 0.000 0.000 -0.000 3/28224 260.0 5.892 0.509 3.772 0.000 0.000 -0.000 3/28224 270.0 5.662 0.490 3.628 0.000 0.000 -0.000 3/28224 280.0 5.450 0.472 3.496 0.000 0.000 -0.000 3/28224 290.0 5.253 0.456 3.372 0.000 0.000 -0.000 3/28224 300.0 5.071 0.441 3.257 0.000 0.000 -0.000 3/28224 310.0 4.900 0.427 3.150 0.000 0.000 -0.000 3/28224 320.0 4.742 0.414 3.050 0.000 0.000 -0.000 3/28224 330.0 4.593 0.401 2.956 0.000 0.000 -0.000 3/28224 340.0 4.453 0.389 2.868 0.000 0.000 -0.000 3/28224 350.0 4.322 0.378 2.785 0.000 0.000 -0.000 3/28224 360.0 4.199 0.368 2.706 0.000 0.000 -0.000 3/28224 370.0 4.082 0.358 2.632 0.000 0.000 -0.000 3/28224 380.0 3.972 0.348 2.562 0.000 0.000 -0.000 3/28224 390.0 3.867 0.340 2.496 0.000 0.000 -0.000 3/28224 400.0 3.769 0.331 2.433 0.000 0.000 -0.000 3/28224 410.0 3.675 0.323 2.373 0.000 0.000 -0.000 3/28224 420.0 3.585 0.315 2.316 0.000 0.000 -0.000 3/28224 430.0 3.500 0.308 2.262 0.000 0.000 -0.000 3/28224 440.0 3.419 0.301 2.210 0.000 0.000 -0.000 3/28224 450.0 3.342 0.294 2.161 0.000 0.000 -0.000 3/28224 460.0 3.268 0.288 2.114 0.000 0.000 -0.000 3/28224 470.0 3.197 0.282 2.068 0.000 0.000 -0.000 3/28224 480.0 3.130 0.276 2.025 0.000 0.000 -0.000 3/28224 490.0 3.065 0.271 1.984 0.000 0.000 -0.000 3/28224 500.0 3.003 0.265 1.944 0.000 0.000 -0.000 3/28224 510.0 2.943 0.260 1.905 0.000 0.000 -0.000 3/28224 520.0 2.886 0.255 1.869 0.000 0.000 -0.000 3/28224 530.0 2.831 0.250 1.833 0.000 0.000 -0.000 3/28224 540.0 2.778 0.246 1.799 0.000 0.000 -0.000 3/28224 550.0 2.726 0.241 1.766 0.000 0.000 -0.000 3/28224 560.0 2.677 0.237 1.735 0.000 0.000 -0.000 3/28224 570.0 2.630 0.233 1.704 0.000 0.000 -0.000 3/28224 580.0 2.584 0.229 1.675 0.000 0.000 -0.000 3/28224 590.0 2.540 0.225 1.646 0.000 0.000 -0.000 3/28224 600.0 2.497 0.221 1.619 0.000 0.000 -0.000 3/28224 610.0 2.456 0.217 1.592 0.000 0.000 -0.000 3/28224 620.0 2.416 0.214 1.567 0.000 0.000 -0.000 3/28224 630.0 2.377 0.211 1.542 0.000 0.000 -0.000 3/28224 640.0 2.340 0.207 1.518 0.000 0.000 -0.000 3/28224 650.0 2.303 0.204 1.494 0.000 0.000 -0.000 3/28224 660.0 2.268 0.201 1.472 0.000 0.000 -0.000 3/28224 670.0 2.234 0.198 1.450 0.000 0.000 -0.000 3/28224 680.0 2.201 0.195 1.428 0.000 0.000 -0.000 3/28224 690.0 2.169 0.192 1.408 0.000 0.000 -0.000 3/28224 700.0 2.138 0.190 1.387 0.000 0.000 -0.000 3/28224 710.0 2.107 0.187 1.368 0.000 0.000 -0.000 3/28224 720.0 2.078 0.184 1.349 0.000 0.000 -0.000 3/28224 730.0 2.049 0.182 1.330 0.000 0.000 -0.000 3/28224 740.0 2.022 0.179 1.312 0.000 0.000 -0.000 3/28224 750.0 1.994 0.177 1.295 0.000 0.000 -0.000 3/28224 760.0 1.968 0.175 1.278 0.000 0.000 -0.000 3/28224 770.0 1.942 0.172 1.261 0.000 0.000 -0.000 3/28224 780.0 1.917 0.170 1.245 0.000 0.000 -0.000 3/28224 790.0 1.893 0.168 1.229 0.000 0.000 -0.000 3/28224 800.0 1.869 0.166 1.214 0.000 0.000 -0.000 3/28224 810.0 1.846 0.164 1.199 0.000 0.000 -0.000 3/28224 820.0 1.823 0.162 1.184 0.000 0.000 -0.000 3/28224 830.0 1.801 0.160 1.170 0.000 0.000 -0.000 3/28224 840.0 1.780 0.158 1.156 0.000 0.000 -0.000 3/28224 850.0 1.759 0.156 1.143 0.000 0.000 -0.000 3/28224 860.0 1.738 0.154 1.129 0.000 0.000 -0.000 3/28224 870.0 1.718 0.153 1.116 0.000 0.000 -0.000 3/28224 880.0 1.699 0.151 1.104 0.000 0.000 -0.000 3/28224 890.0 1.679 0.149 1.091 0.000 0.000 -0.000 3/28224 900.0 1.661 0.148 1.079 0.000 0.000 -0.000 3/28224 910.0 1.642 0.146 1.067 0.000 0.000 -0.000 3/28224 920.0 1.625 0.144 1.056 0.000 0.000 -0.000 3/28224 930.0 1.607 0.143 1.044 0.000 0.000 -0.000 3/28224 940.0 1.590 0.141 1.033 0.000 0.000 -0.000 3/28224 950.0 1.573 0.140 1.022 0.000 0.000 -0.000 3/28224 960.0 1.557 0.138 1.012 0.000 0.000 -0.000 3/28224 970.0 1.541 0.137 1.001 0.000 0.000 -0.000 3/28224 980.0 1.525 0.136 0.991 0.000 0.000 -0.000 3/28224 990.0 1.509 0.134 0.981 0.000 0.000 -0.000 3/28224 1000.0 1.494 0.133 0.971 0.000 0.000 -0.000 3/28224 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:24:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|