----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:50:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 192 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.918059860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.575974820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.680340650000000 Atomic positions (fractional): *1 P 0.32850690395816 0.86671405994003 0.50000000000000 30.974 2 P 0.67149309604184 0.13328594005997 0.50000000000000 30.974 3 P 0.17149309604184 0.36671405994003 0.00000000000000 30.974 4 P 0.82850690395816 0.63328594005997 0.00000000000000 30.974 *5 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 6 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.918059860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.575974820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.680340650000000 Atomic positions (fractional): *1 P 0.32850690395816 0.86671405994003 0.50000000000000 30.974 > 1 2 P 0.67149309604184 0.13328594005997 0.50000000000000 30.974 > 2 3 P 0.17149309604184 0.36671405994003 0.00000000000000 30.974 > 3 4 P 0.82850690395816 0.63328594005997 0.00000000000000 30.974 > 4 *5 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 > 5 6 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.754179579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.151949640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.721362600000001 Atomic positions (fractional): *1 P 0.10950230131939 0.43335702997001 0.12500000000000 30.974 > 1 2 P 0.44283563465272 0.43335702997001 0.12500000000000 30.974 > 1 3 P 0.77616896798605 0.43335702997001 0.12500000000000 30.974 > 1 4 P 0.10950230131939 0.93335702997001 0.12500000000000 30.974 > 1 5 P 0.44283563465272 0.93335702997001 0.12500000000000 30.974 > 1 6 P 0.77616896798605 0.93335702997001 0.12500000000000 30.974 > 1 7 P 0.10950230131939 0.43335702997001 0.37500000000000 30.974 > 1 8 P 0.44283563465272 0.43335702997001 0.37500000000000 30.974 > 1 9 P 0.77616896798605 0.43335702997001 0.37500000000000 30.974 > 1 10 P 0.10950230131939 0.93335702997001 0.37500000000000 30.974 > 1 11 P 0.44283563465272 0.93335702997001 0.37500000000000 30.974 > 1 12 P 0.77616896798605 0.93335702997001 0.37500000000000 30.974 > 1 13 P 0.10950230131939 0.43335702997001 0.62500000000000 30.974 > 1 14 P 0.44283563465272 0.43335702997001 0.62500000000000 30.974 > 1 15 P 0.77616896798605 0.43335702997001 0.62500000000000 30.974 > 1 16 P 0.10950230131939 0.93335702997001 0.62500000000000 30.974 > 1 17 P 0.44283563465272 0.93335702997001 0.62500000000000 30.974 > 1 18 P 0.77616896798605 0.93335702997001 0.62500000000000 30.974 > 1 19 P 0.10950230131939 0.43335702997001 0.87500000000000 30.974 > 1 20 P 0.44283563465272 0.43335702997001 0.87500000000000 30.974 > 1 21 P 0.77616896798605 0.43335702997001 0.87500000000000 30.974 > 1 22 P 0.10950230131939 0.93335702997001 0.87500000000000 30.974 > 1 23 P 0.44283563465272 0.93335702997001 0.87500000000000 30.974 > 1 24 P 0.77616896798605 0.93335702997001 0.87500000000000 30.974 > 1 25 P 0.22383103201395 0.06664297002999 0.12500000000000 30.974 > 2 26 P 0.55716436534728 0.06664297002999 0.12500000000000 30.974 > 2 27 P 0.89049769868061 0.06664297002999 0.12500000000000 30.974 > 2 28 P 0.22383103201395 0.56664297002999 0.12500000000000 30.974 > 2 29 P 0.55716436534728 0.56664297002999 0.12500000000000 30.974 > 2 30 P 0.89049769868061 0.56664297002999 0.12500000000000 30.974 > 2 31 P 0.22383103201395 0.06664297002999 0.37500000000000 30.974 > 2 32 P 0.55716436534728 0.06664297002999 0.37500000000000 30.974 > 2 33 P 0.89049769868061 0.06664297002999 0.37500000000000 30.974 > 2 34 P 0.22383103201395 0.56664297002999 0.37500000000000 30.974 > 2 35 P 0.55716436534728 0.56664297002999 0.37500000000000 30.974 > 2 36 P 0.89049769868061 0.56664297002999 0.37500000000000 30.974 > 2 37 P 0.22383103201395 0.06664297002999 0.62500000000000 30.974 > 2 38 P 0.55716436534728 0.06664297002999 0.62500000000000 30.974 > 2 39 P 0.89049769868061 0.06664297002999 0.62500000000000 30.974 > 2 40 P 0.22383103201395 0.56664297002999 0.62500000000000 30.974 > 2 41 P 0.55716436534728 0.56664297002999 0.62500000000000 30.974 > 2 42 P 0.89049769868061 0.56664297002999 0.62500000000000 30.974 > 2 43 P 0.22383103201395 0.06664297002999 0.87500000000000 30.974 > 2 44 P 0.55716436534728 0.06664297002999 0.87500000000000 30.974 > 2 45 P 0.89049769868061 0.06664297002999 0.87500000000000 30.974 > 2 46 P 0.22383103201395 0.56664297002999 0.87500000000000 30.974 > 2 47 P 0.55716436534728 0.56664297002999 0.87500000000000 30.974 > 2 48 P 0.89049769868061 0.56664297002999 0.87500000000000 30.974 > 2 49 P 0.05716436534728 0.18335702997001 0.00000000000000 30.974 > 3 50 P 0.39049769868061 0.18335702997001 0.00000000000000 30.974 > 3 51 P 0.72383103201395 0.18335702997001 0.00000000000000 30.974 > 3 52 P 0.05716436534728 0.68335702997001 0.00000000000000 30.974 > 3 53 P 0.39049769868061 0.68335702997001 0.00000000000000 30.974 > 3 54 P 0.72383103201395 0.68335702997001 0.00000000000000 30.974 > 3 55 P 0.05716436534728 0.18335702997001 0.25000000000000 30.974 > 3 56 P 0.39049769868061 0.18335702997001 0.25000000000000 30.974 > 3 57 P 0.72383103201395 0.18335702997001 0.25000000000000 30.974 > 3 58 P 0.05716436534728 0.68335702997001 0.25000000000000 30.974 > 3 59 P 0.39049769868061 0.68335702997001 0.25000000000000 30.974 > 3 60 P 0.72383103201395 0.68335702997001 0.25000000000000 30.974 > 3 61 P 0.05716436534728 0.18335702997001 0.50000000000000 30.974 > 3 62 P 0.39049769868061 0.18335702997001 0.50000000000000 30.974 > 3 63 P 0.72383103201395 0.18335702997001 0.50000000000000 30.974 > 3 64 P 0.05716436534728 0.68335702997001 0.50000000000000 30.974 > 3 65 P 0.39049769868061 0.68335702997001 0.50000000000000 30.974 > 3 66 P 0.72383103201395 0.68335702997001 0.50000000000000 30.974 > 3 67 P 0.05716436534728 0.18335702997001 0.75000000000000 30.974 > 3 68 P 0.39049769868061 0.18335702997001 0.75000000000000 30.974 > 3 69 P 0.72383103201395 0.18335702997001 0.75000000000000 30.974 > 3 70 P 0.05716436534728 0.68335702997001 0.75000000000000 30.974 > 3 71 P 0.39049769868061 0.68335702997001 0.75000000000000 30.974 > 3 72 P 0.72383103201395 0.68335702997001 0.75000000000000 30.974 > 3 73 P 0.27616896798605 0.31664297002999 0.00000000000000 30.974 > 4 74 P 0.60950230131939 0.31664297002999 0.00000000000000 30.974 > 4 75 P 0.94283563465272 0.31664297002999 0.00000000000000 30.974 > 4 76 P 0.27616896798605 0.81664297002999 0.00000000000000 30.974 > 4 77 P 0.60950230131939 0.81664297002999 0.00000000000000 30.974 > 4 78 P 0.94283563465272 0.81664297002999 0.00000000000000 30.974 > 4 79 P 0.27616896798605 0.31664297002999 0.25000000000000 30.974 > 4 80 P 0.60950230131939 0.31664297002999 0.25000000000000 30.974 > 4 81 P 0.94283563465272 0.31664297002999 0.25000000000000 30.974 > 4 82 P 0.27616896798605 0.81664297002999 0.25000000000000 30.974 > 4 83 P 0.60950230131939 0.81664297002999 0.25000000000000 30.974 > 4 84 P 0.94283563465272 0.81664297002999 0.25000000000000 30.974 > 4 85 P 0.27616896798605 0.31664297002999 0.50000000000000 30.974 > 4 86 P 0.60950230131939 0.31664297002999 0.50000000000000 30.974 > 4 87 P 0.94283563465272 0.31664297002999 0.50000000000000 30.974 > 4 88 P 0.27616896798605 0.81664297002999 0.50000000000000 30.974 > 4 89 P 0.60950230131939 0.81664297002999 0.50000000000000 30.974 > 4 90 P 0.94283563465272 0.81664297002999 0.50000000000000 30.974 > 4 91 P 0.27616896798605 0.31664297002999 0.75000000000000 30.974 > 4 92 P 0.60950230131939 0.31664297002999 0.75000000000000 30.974 > 4 93 P 0.94283563465272 0.31664297002999 0.75000000000000 30.974 > 4 94 P 0.27616896798605 0.81664297002999 0.75000000000000 30.974 > 4 95 P 0.60950230131939 0.81664297002999 0.75000000000000 30.974 > 4 96 P 0.94283563465272 0.81664297002999 0.75000000000000 30.974 > 4 *97 Fe 0.16666666666667 0.25000000000000 0.12500000000000 55.845 > 5 98 Fe 0.50000000000000 0.25000000000000 0.12500000000000 55.845 > 5 99 Fe 0.83333333333333 0.25000000000000 0.12500000000000 55.845 > 5 100 Fe 0.16666666666667 0.75000000000000 0.12500000000000 55.845 > 5 101 Fe 0.50000000000000 0.75000000000000 0.12500000000000 55.845 > 5 102 Fe 0.83333333333333 0.75000000000000 0.12500000000000 55.845 > 5 103 Fe 0.16666666666667 0.25000000000000 0.37500000000000 55.845 > 5 104 Fe 0.50000000000000 0.25000000000000 0.37500000000000 55.845 > 5 105 Fe 0.83333333333333 0.25000000000000 0.37500000000000 55.845 > 5 106 Fe 0.16666666666667 0.75000000000000 0.37500000000000 55.845 > 5 107 Fe 0.50000000000000 0.75000000000000 0.37500000000000 55.845 > 5 108 Fe 0.83333333333333 0.75000000000000 0.37500000000000 55.845 > 5 109 Fe 0.16666666666667 0.25000000000000 0.62500000000000 55.845 > 5 110 Fe 0.50000000000000 0.25000000000000 0.62500000000000 55.845 > 5 111 Fe 0.83333333333333 0.25000000000000 0.62500000000000 55.845 > 5 112 Fe 0.16666666666667 0.75000000000000 0.62500000000000 55.845 > 5 113 Fe 0.50000000000000 0.75000000000000 0.62500000000000 55.845 > 5 114 Fe 0.83333333333333 0.75000000000000 0.62500000000000 55.845 > 5 115 Fe 0.16666666666667 0.25000000000000 0.87500000000000 55.845 > 5 116 Fe 0.50000000000000 0.25000000000000 0.87500000000000 55.845 > 5 117 Fe 0.83333333333333 0.25000000000000 0.87500000000000 55.845 > 5 118 Fe 0.16666666666667 0.75000000000000 0.87500000000000 55.845 > 5 119 Fe 0.50000000000000 0.75000000000000 0.87500000000000 55.845 > 5 120 Fe 0.83333333333333 0.75000000000000 0.87500000000000 55.845 > 5 121 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 6 122 Fe 0.33333333333333 0.00000000000000 0.00000000000000 55.845 > 6 123 Fe 0.66666666666667 0.00000000000000 0.00000000000000 55.845 > 6 124 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 6 125 Fe 0.33333333333333 0.50000000000000 0.00000000000000 55.845 > 6 126 Fe 0.66666666666667 0.50000000000000 0.00000000000000 55.845 > 6 127 Fe 0.00000000000000 0.00000000000000 0.25000000000000 55.845 > 6 128 Fe 0.33333333333333 0.00000000000000 0.25000000000000 55.845 > 6 129 Fe 0.66666666666667 0.00000000000000 0.25000000000000 55.845 > 6 130 Fe 0.00000000000000 0.50000000000000 0.25000000000000 55.845 > 6 131 Fe 0.33333333333333 0.50000000000000 0.25000000000000 55.845 > 6 132 Fe 0.66666666666667 0.50000000000000 0.25000000000000 55.845 > 6 133 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 6 134 Fe 0.33333333333333 0.00000000000000 0.50000000000000 55.845 > 6 135 Fe 0.66666666666667 0.00000000000000 0.50000000000000 55.845 > 6 136 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 6 137 Fe 0.33333333333333 0.50000000000000 0.50000000000000 55.845 > 6 138 Fe 0.66666666666667 0.50000000000000 0.50000000000000 55.845 > 6 139 Fe 0.00000000000000 0.00000000000000 0.75000000000000 55.845 > 6 140 Fe 0.33333333333333 0.00000000000000 0.75000000000000 55.845 > 6 141 Fe 0.66666666666667 0.00000000000000 0.75000000000000 55.845 > 6 142 Fe 0.00000000000000 0.50000000000000 0.75000000000000 55.845 > 6 143 Fe 0.33333333333333 0.50000000000000 0.75000000000000 55.845 > 6 144 Fe 0.66666666666667 0.50000000000000 0.75000000000000 55.845 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.2458467 0.0000000 0.0000000 0.0000000 26.6988411 0.0000000 0.0000000 0.0000000 19.2833122 -------------------------- Born effective charges -------------------------- 1 P 3.0746256 -0.4248940 0.0000000 -0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 2 P 3.0746256 -0.4248940 0.0000000 -0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 3 P 3.0746256 0.4248940 0.0000000 0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 4 P 3.0746256 0.4248940 0.0000000 0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 5 Fe -6.1492512 -0.0831252 0.0000000 -1.1006522 -5.6597219 0.0000000 0.0000000 0.0000000 -7.0591144 6 Fe -6.1492512 0.0831252 0.0000000 1.1006522 -5.6597219 0.0000000 0.0000000 0.0000000 -7.0591144 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 4500/4500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 568 Number of blocks in projector: 568 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: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (568, 558), data: False |-- (80, 80), data: True |-- (80, 80), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (138, 134), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.630 Solver_block: 160 / 160 - Time: 0.414 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.060 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 4500/4500 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 568 Number of blocks in projector: 568 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: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 80 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (568, 558), data: False |-- (80, 80), data: True |-- (80, 80), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (90, 88), data: True |-- (138, 134), 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 04:50:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.918059860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.575974820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.680340650000000 Atomic positions (fractional): 1 P 0.32850690395816 0.86671405994003 0.50000000000000 30.974 2 P 0.67149309604184 0.13328594005997 0.50000000000000 30.974 3 P 0.17149309604184 0.36671405994003 0.00000000000000 30.974 4 P 0.82850690395816 0.63328594005997 0.00000000000000 30.974 5 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 6 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.754179579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.151949640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.721362600000001 Atomic positions (fractional): 1 P 0.10950230131939 0.43335702997001 0.12500000000000 30.974 > 1 2 P 0.44283563465272 0.43335702997001 0.12500000000000 30.974 > 1 3 P 0.77616896798605 0.43335702997001 0.12500000000000 30.974 > 1 4 P 0.10950230131939 0.93335702997001 0.12500000000000 30.974 > 1 5 P 0.44283563465272 0.93335702997001 0.12500000000000 30.974 > 1 6 P 0.77616896798605 0.93335702997001 0.12500000000000 30.974 > 1 7 P 0.10950230131939 0.43335702997001 0.37500000000000 30.974 > 1 8 P 0.44283563465272 0.43335702997001 0.37500000000000 30.974 > 1 9 P 0.77616896798605 0.43335702997001 0.37500000000000 30.974 > 1 10 P 0.10950230131939 0.93335702997001 0.37500000000000 30.974 > 1 11 P 0.44283563465272 0.93335702997001 0.37500000000000 30.974 > 1 12 P 0.77616896798605 0.93335702997001 0.37500000000000 30.974 > 1 13 P 0.10950230131939 0.43335702997001 0.62500000000000 30.974 > 1 14 P 0.44283563465272 0.43335702997001 0.62500000000000 30.974 > 1 15 P 0.77616896798605 0.43335702997001 0.62500000000000 30.974 > 1 16 P 0.10950230131939 0.93335702997001 0.62500000000000 30.974 > 1 17 P 0.44283563465272 0.93335702997001 0.62500000000000 30.974 > 1 18 P 0.77616896798605 0.93335702997001 0.62500000000000 30.974 > 1 19 P 0.10950230131939 0.43335702997001 0.87500000000000 30.974 > 1 20 P 0.44283563465272 0.43335702997001 0.87500000000000 30.974 > 1 21 P 0.77616896798605 0.43335702997001 0.87500000000000 30.974 > 1 22 P 0.10950230131939 0.93335702997001 0.87500000000000 30.974 > 1 23 P 0.44283563465272 0.93335702997001 0.87500000000000 30.974 > 1 24 P 0.77616896798605 0.93335702997001 0.87500000000000 30.974 > 1 25 P 0.22383103201395 0.06664297002999 0.12500000000000 30.974 > 25 26 P 0.55716436534728 0.06664297002999 0.12500000000000 30.974 > 25 27 P 0.89049769868061 0.06664297002999 0.12500000000000 30.974 > 25 28 P 0.22383103201395 0.56664297002999 0.12500000000000 30.974 > 25 29 P 0.55716436534728 0.56664297002999 0.12500000000000 30.974 > 25 30 P 0.89049769868061 0.56664297002999 0.12500000000000 30.974 > 25 31 P 0.22383103201395 0.06664297002999 0.37500000000000 30.974 > 25 32 P 0.55716436534728 0.06664297002999 0.37500000000000 30.974 > 25 33 P 0.89049769868061 0.06664297002999 0.37500000000000 30.974 > 25 34 P 0.22383103201395 0.56664297002999 0.37500000000000 30.974 > 25 35 P 0.55716436534728 0.56664297002999 0.37500000000000 30.974 > 25 36 P 0.89049769868061 0.56664297002999 0.37500000000000 30.974 > 25 37 P 0.22383103201395 0.06664297002999 0.62500000000000 30.974 > 25 38 P 0.55716436534728 0.06664297002999 0.62500000000000 30.974 > 25 39 P 0.89049769868061 0.06664297002999 0.62500000000000 30.974 > 25 40 P 0.22383103201395 0.56664297002999 0.62500000000000 30.974 > 25 41 P 0.55716436534728 0.56664297002999 0.62500000000000 30.974 > 25 42 P 0.89049769868061 0.56664297002999 0.62500000000000 30.974 > 25 43 P 0.22383103201395 0.06664297002999 0.87500000000000 30.974 > 25 44 P 0.55716436534728 0.06664297002999 0.87500000000000 30.974 > 25 45 P 0.89049769868061 0.06664297002999 0.87500000000000 30.974 > 25 46 P 0.22383103201395 0.56664297002999 0.87500000000000 30.974 > 25 47 P 0.55716436534728 0.56664297002999 0.87500000000000 30.974 > 25 48 P 0.89049769868061 0.56664297002999 0.87500000000000 30.974 > 25 49 P 0.05716436534728 0.18335702997001 0.00000000000000 30.974 > 49 50 P 0.39049769868061 0.18335702997001 0.00000000000000 30.974 > 49 51 P 0.72383103201395 0.18335702997001 0.00000000000000 30.974 > 49 52 P 0.05716436534728 0.68335702997001 0.00000000000000 30.974 > 49 53 P 0.39049769868061 0.68335702997001 0.00000000000000 30.974 > 49 54 P 0.72383103201395 0.68335702997001 0.00000000000000 30.974 > 49 55 P 0.05716436534728 0.18335702997001 0.25000000000000 30.974 > 49 56 P 0.39049769868061 0.18335702997001 0.25000000000000 30.974 > 49 57 P 0.72383103201395 0.18335702997001 0.25000000000000 30.974 > 49 58 P 0.05716436534728 0.68335702997001 0.25000000000000 30.974 > 49 59 P 0.39049769868061 0.68335702997001 0.25000000000000 30.974 > 49 60 P 0.72383103201395 0.68335702997001 0.25000000000000 30.974 > 49 61 P 0.05716436534728 0.18335702997001 0.50000000000000 30.974 > 49 62 P 0.39049769868061 0.18335702997001 0.50000000000000 30.974 > 49 63 P 0.72383103201395 0.18335702997001 0.50000000000000 30.974 > 49 64 P 0.05716436534728 0.68335702997001 0.50000000000000 30.974 > 49 65 P 0.39049769868061 0.68335702997001 0.50000000000000 30.974 > 49 66 P 0.72383103201395 0.68335702997001 0.50000000000000 30.974 > 49 67 P 0.05716436534728 0.18335702997001 0.75000000000000 30.974 > 49 68 P 0.39049769868061 0.18335702997001 0.75000000000000 30.974 > 49 69 P 0.72383103201395 0.18335702997001 0.75000000000000 30.974 > 49 70 P 0.05716436534728 0.68335702997001 0.75000000000000 30.974 > 49 71 P 0.39049769868061 0.68335702997001 0.75000000000000 30.974 > 49 72 P 0.72383103201395 0.68335702997001 0.75000000000000 30.974 > 49 73 P 0.27616896798605 0.31664297002999 0.00000000000000 30.974 > 73 74 P 0.60950230131939 0.31664297002999 0.00000000000000 30.974 > 73 75 P 0.94283563465272 0.31664297002999 0.00000000000000 30.974 > 73 76 P 0.27616896798605 0.81664297002999 0.00000000000000 30.974 > 73 77 P 0.60950230131939 0.81664297002999 0.00000000000000 30.974 > 73 78 P 0.94283563465272 0.81664297002999 0.00000000000000 30.974 > 73 79 P 0.27616896798605 0.31664297002999 0.25000000000000 30.974 > 73 80 P 0.60950230131939 0.31664297002999 0.25000000000000 30.974 > 73 81 P 0.94283563465272 0.31664297002999 0.25000000000000 30.974 > 73 82 P 0.27616896798605 0.81664297002999 0.25000000000000 30.974 > 73 83 P 0.60950230131939 0.81664297002999 0.25000000000000 30.974 > 73 84 P 0.94283563465272 0.81664297002999 0.25000000000000 30.974 > 73 85 P 0.27616896798605 0.31664297002999 0.50000000000000 30.974 > 73 86 P 0.60950230131939 0.31664297002999 0.50000000000000 30.974 > 73 87 P 0.94283563465272 0.31664297002999 0.50000000000000 30.974 > 73 88 P 0.27616896798605 0.81664297002999 0.50000000000000 30.974 > 73 89 P 0.60950230131939 0.81664297002999 0.50000000000000 30.974 > 73 90 P 0.94283563465272 0.81664297002999 0.50000000000000 30.974 > 73 91 P 0.27616896798605 0.31664297002999 0.75000000000000 30.974 > 73 92 P 0.60950230131939 0.31664297002999 0.75000000000000 30.974 > 73 93 P 0.94283563465272 0.31664297002999 0.75000000000000 30.974 > 73 94 P 0.27616896798605 0.81664297002999 0.75000000000000 30.974 > 73 95 P 0.60950230131939 0.81664297002999 0.75000000000000 30.974 > 73 96 P 0.94283563465272 0.81664297002999 0.75000000000000 30.974 > 73 97 Fe 0.16666666666667 0.25000000000000 0.12500000000000 55.845 > 97 98 Fe 0.50000000000000 0.25000000000000 0.12500000000000 55.845 > 97 99 Fe 0.83333333333333 0.25000000000000 0.12500000000000 55.845 > 97 100 Fe 0.16666666666667 0.75000000000000 0.12500000000000 55.845 > 97 101 Fe 0.50000000000000 0.75000000000000 0.12500000000000 55.845 > 97 102 Fe 0.83333333333333 0.75000000000000 0.12500000000000 55.845 > 97 103 Fe 0.16666666666667 0.25000000000000 0.37500000000000 55.845 > 97 104 Fe 0.50000000000000 0.25000000000000 0.37500000000000 55.845 > 97 105 Fe 0.83333333333333 0.25000000000000 0.37500000000000 55.845 > 97 106 Fe 0.16666666666667 0.75000000000000 0.37500000000000 55.845 > 97 107 Fe 0.50000000000000 0.75000000000000 0.37500000000000 55.845 > 97 108 Fe 0.83333333333333 0.75000000000000 0.37500000000000 55.845 > 97 109 Fe 0.16666666666667 0.25000000000000 0.62500000000000 55.845 > 97 110 Fe 0.50000000000000 0.25000000000000 0.62500000000000 55.845 > 97 111 Fe 0.83333333333333 0.25000000000000 0.62500000000000 55.845 > 97 112 Fe 0.16666666666667 0.75000000000000 0.62500000000000 55.845 > 97 113 Fe 0.50000000000000 0.75000000000000 0.62500000000000 55.845 > 97 114 Fe 0.83333333333333 0.75000000000000 0.62500000000000 55.845 > 97 115 Fe 0.16666666666667 0.25000000000000 0.87500000000000 55.845 > 97 116 Fe 0.50000000000000 0.25000000000000 0.87500000000000 55.845 > 97 117 Fe 0.83333333333333 0.25000000000000 0.87500000000000 55.845 > 97 118 Fe 0.16666666666667 0.75000000000000 0.87500000000000 55.845 > 97 119 Fe 0.50000000000000 0.75000000000000 0.87500000000000 55.845 > 97 120 Fe 0.83333333333333 0.75000000000000 0.87500000000000 55.845 > 97 121 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 121 122 Fe 0.33333333333333 0.00000000000000 0.00000000000000 55.845 > 121 123 Fe 0.66666666666667 0.00000000000000 0.00000000000000 55.845 > 121 124 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 121 125 Fe 0.33333333333333 0.50000000000000 0.00000000000000 55.845 > 121 126 Fe 0.66666666666667 0.50000000000000 0.00000000000000 55.845 > 121 127 Fe 0.00000000000000 0.00000000000000 0.25000000000000 55.845 > 121 128 Fe 0.33333333333333 0.00000000000000 0.25000000000000 55.845 > 121 129 Fe 0.66666666666667 0.00000000000000 0.25000000000000 55.845 > 121 130 Fe 0.00000000000000 0.50000000000000 0.25000000000000 55.845 > 121 131 Fe 0.33333333333333 0.50000000000000 0.25000000000000 55.845 > 121 132 Fe 0.66666666666667 0.50000000000000 0.25000000000000 55.845 > 121 133 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 121 134 Fe 0.33333333333333 0.00000000000000 0.50000000000000 55.845 > 121 135 Fe 0.66666666666667 0.00000000000000 0.50000000000000 55.845 > 121 136 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 121 137 Fe 0.33333333333333 0.50000000000000 0.50000000000000 55.845 > 121 138 Fe 0.66666666666667 0.50000000000000 0.50000000000000 55.845 > 121 139 Fe 0.00000000000000 0.00000000000000 0.75000000000000 55.845 > 121 140 Fe 0.33333333333333 0.00000000000000 0.75000000000000 55.845 > 121 141 Fe 0.66666666666667 0.00000000000000 0.75000000000000 55.845 > 121 142 Fe 0.00000000000000 0.50000000000000 0.75000000000000 55.845 > 121 143 Fe 0.33333333333333 0.50000000000000 0.75000000000000 55.845 > 121 144 Fe 0.66666666666667 0.50000000000000 0.75000000000000 55.845 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.2458467 0.0000000 0.0000000 0.0000000 26.6988411 0.0000000 0.0000000 0.0000000 19.2833122 -------------------------- Born effective charges -------------------------- 1 P 3.0746256 -0.4248940 0.0000000 -0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 2 P 3.0746256 -0.4248940 0.0000000 -0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 3 P 3.0746256 0.4248940 0.0000000 0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 4 P 3.0746256 0.4248940 0.0000000 0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 5 Fe -6.1492512 -0.0831252 0.0000000 -1.1006522 -5.6597219 0.0000000 0.0000000 0.0000000 -7.0591144 6 Fe -6.1492512 0.0831252 0.0000000 1.1006522 -5.6597219 0.0000000 0.0000000 0.0000000 -7.0591144 ---------------------------------------------------------------------------- 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[ 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 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 04:50:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:50:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.918059860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.575974820000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.680340650000000 Atomic positions (fractional): 1 P 0.32850690395816 0.86671405994003 0.50000000000000 30.974 2 P 0.67149309604184 0.13328594005997 0.50000000000000 30.974 3 P 0.17149309604184 0.36671405994003 0.00000000000000 30.974 4 P 0.82850690395816 0.63328594005997 0.00000000000000 30.974 5 Fe 0.50000000000000 0.50000000000000 0.50000000000000 55.845 6 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.754179579999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.151949640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.721362600000001 Atomic positions (fractional): 1 P 0.10950230131939 0.43335702997001 0.12500000000000 30.974 > 1 2 P 0.44283563465272 0.43335702997001 0.12500000000000 30.974 > 1 3 P 0.77616896798605 0.43335702997001 0.12500000000000 30.974 > 1 4 P 0.10950230131939 0.93335702997001 0.12500000000000 30.974 > 1 5 P 0.44283563465272 0.93335702997001 0.12500000000000 30.974 > 1 6 P 0.77616896798605 0.93335702997001 0.12500000000000 30.974 > 1 7 P 0.10950230131939 0.43335702997001 0.37500000000000 30.974 > 1 8 P 0.44283563465272 0.43335702997001 0.37500000000000 30.974 > 1 9 P 0.77616896798605 0.43335702997001 0.37500000000000 30.974 > 1 10 P 0.10950230131939 0.93335702997001 0.37500000000000 30.974 > 1 11 P 0.44283563465272 0.93335702997001 0.37500000000000 30.974 > 1 12 P 0.77616896798605 0.93335702997001 0.37500000000000 30.974 > 1 13 P 0.10950230131939 0.43335702997001 0.62500000000000 30.974 > 1 14 P 0.44283563465272 0.43335702997001 0.62500000000000 30.974 > 1 15 P 0.77616896798605 0.43335702997001 0.62500000000000 30.974 > 1 16 P 0.10950230131939 0.93335702997001 0.62500000000000 30.974 > 1 17 P 0.44283563465272 0.93335702997001 0.62500000000000 30.974 > 1 18 P 0.77616896798605 0.93335702997001 0.62500000000000 30.974 > 1 19 P 0.10950230131939 0.43335702997001 0.87500000000000 30.974 > 1 20 P 0.44283563465272 0.43335702997001 0.87500000000000 30.974 > 1 21 P 0.77616896798605 0.43335702997001 0.87500000000000 30.974 > 1 22 P 0.10950230131939 0.93335702997001 0.87500000000000 30.974 > 1 23 P 0.44283563465272 0.93335702997001 0.87500000000000 30.974 > 1 24 P 0.77616896798605 0.93335702997001 0.87500000000000 30.974 > 1 25 P 0.22383103201395 0.06664297002999 0.12500000000000 30.974 > 25 26 P 0.55716436534728 0.06664297002999 0.12500000000000 30.974 > 25 27 P 0.89049769868061 0.06664297002999 0.12500000000000 30.974 > 25 28 P 0.22383103201395 0.56664297002999 0.12500000000000 30.974 > 25 29 P 0.55716436534728 0.56664297002999 0.12500000000000 30.974 > 25 30 P 0.89049769868061 0.56664297002999 0.12500000000000 30.974 > 25 31 P 0.22383103201395 0.06664297002999 0.37500000000000 30.974 > 25 32 P 0.55716436534728 0.06664297002999 0.37500000000000 30.974 > 25 33 P 0.89049769868061 0.06664297002999 0.37500000000000 30.974 > 25 34 P 0.22383103201395 0.56664297002999 0.37500000000000 30.974 > 25 35 P 0.55716436534728 0.56664297002999 0.37500000000000 30.974 > 25 36 P 0.89049769868061 0.56664297002999 0.37500000000000 30.974 > 25 37 P 0.22383103201395 0.06664297002999 0.62500000000000 30.974 > 25 38 P 0.55716436534728 0.06664297002999 0.62500000000000 30.974 > 25 39 P 0.89049769868061 0.06664297002999 0.62500000000000 30.974 > 25 40 P 0.22383103201395 0.56664297002999 0.62500000000000 30.974 > 25 41 P 0.55716436534728 0.56664297002999 0.62500000000000 30.974 > 25 42 P 0.89049769868061 0.56664297002999 0.62500000000000 30.974 > 25 43 P 0.22383103201395 0.06664297002999 0.87500000000000 30.974 > 25 44 P 0.55716436534728 0.06664297002999 0.87500000000000 30.974 > 25 45 P 0.89049769868061 0.06664297002999 0.87500000000000 30.974 > 25 46 P 0.22383103201395 0.56664297002999 0.87500000000000 30.974 > 25 47 P 0.55716436534728 0.56664297002999 0.87500000000000 30.974 > 25 48 P 0.89049769868061 0.56664297002999 0.87500000000000 30.974 > 25 49 P 0.05716436534728 0.18335702997001 0.00000000000000 30.974 > 49 50 P 0.39049769868061 0.18335702997001 0.00000000000000 30.974 > 49 51 P 0.72383103201395 0.18335702997001 0.00000000000000 30.974 > 49 52 P 0.05716436534728 0.68335702997001 0.00000000000000 30.974 > 49 53 P 0.39049769868061 0.68335702997001 0.00000000000000 30.974 > 49 54 P 0.72383103201395 0.68335702997001 0.00000000000000 30.974 > 49 55 P 0.05716436534728 0.18335702997001 0.25000000000000 30.974 > 49 56 P 0.39049769868061 0.18335702997001 0.25000000000000 30.974 > 49 57 P 0.72383103201395 0.18335702997001 0.25000000000000 30.974 > 49 58 P 0.05716436534728 0.68335702997001 0.25000000000000 30.974 > 49 59 P 0.39049769868061 0.68335702997001 0.25000000000000 30.974 > 49 60 P 0.72383103201395 0.68335702997001 0.25000000000000 30.974 > 49 61 P 0.05716436534728 0.18335702997001 0.50000000000000 30.974 > 49 62 P 0.39049769868061 0.18335702997001 0.50000000000000 30.974 > 49 63 P 0.72383103201395 0.18335702997001 0.50000000000000 30.974 > 49 64 P 0.05716436534728 0.68335702997001 0.50000000000000 30.974 > 49 65 P 0.39049769868061 0.68335702997001 0.50000000000000 30.974 > 49 66 P 0.72383103201395 0.68335702997001 0.50000000000000 30.974 > 49 67 P 0.05716436534728 0.18335702997001 0.75000000000000 30.974 > 49 68 P 0.39049769868061 0.18335702997001 0.75000000000000 30.974 > 49 69 P 0.72383103201395 0.18335702997001 0.75000000000000 30.974 > 49 70 P 0.05716436534728 0.68335702997001 0.75000000000000 30.974 > 49 71 P 0.39049769868061 0.68335702997001 0.75000000000000 30.974 > 49 72 P 0.72383103201395 0.68335702997001 0.75000000000000 30.974 > 49 73 P 0.27616896798605 0.31664297002999 0.00000000000000 30.974 > 73 74 P 0.60950230131939 0.31664297002999 0.00000000000000 30.974 > 73 75 P 0.94283563465272 0.31664297002999 0.00000000000000 30.974 > 73 76 P 0.27616896798605 0.81664297002999 0.00000000000000 30.974 > 73 77 P 0.60950230131939 0.81664297002999 0.00000000000000 30.974 > 73 78 P 0.94283563465272 0.81664297002999 0.00000000000000 30.974 > 73 79 P 0.27616896798605 0.31664297002999 0.25000000000000 30.974 > 73 80 P 0.60950230131939 0.31664297002999 0.25000000000000 30.974 > 73 81 P 0.94283563465272 0.31664297002999 0.25000000000000 30.974 > 73 82 P 0.27616896798605 0.81664297002999 0.25000000000000 30.974 > 73 83 P 0.60950230131939 0.81664297002999 0.25000000000000 30.974 > 73 84 P 0.94283563465272 0.81664297002999 0.25000000000000 30.974 > 73 85 P 0.27616896798605 0.31664297002999 0.50000000000000 30.974 > 73 86 P 0.60950230131939 0.31664297002999 0.50000000000000 30.974 > 73 87 P 0.94283563465272 0.31664297002999 0.50000000000000 30.974 > 73 88 P 0.27616896798605 0.81664297002999 0.50000000000000 30.974 > 73 89 P 0.60950230131939 0.81664297002999 0.50000000000000 30.974 > 73 90 P 0.94283563465272 0.81664297002999 0.50000000000000 30.974 > 73 91 P 0.27616896798605 0.31664297002999 0.75000000000000 30.974 > 73 92 P 0.60950230131939 0.31664297002999 0.75000000000000 30.974 > 73 93 P 0.94283563465272 0.31664297002999 0.75000000000000 30.974 > 73 94 P 0.27616896798605 0.81664297002999 0.75000000000000 30.974 > 73 95 P 0.60950230131939 0.81664297002999 0.75000000000000 30.974 > 73 96 P 0.94283563465272 0.81664297002999 0.75000000000000 30.974 > 73 97 Fe 0.16666666666667 0.25000000000000 0.12500000000000 55.845 > 97 98 Fe 0.50000000000000 0.25000000000000 0.12500000000000 55.845 > 97 99 Fe 0.83333333333333 0.25000000000000 0.12500000000000 55.845 > 97 100 Fe 0.16666666666667 0.75000000000000 0.12500000000000 55.845 > 97 101 Fe 0.50000000000000 0.75000000000000 0.12500000000000 55.845 > 97 102 Fe 0.83333333333333 0.75000000000000 0.12500000000000 55.845 > 97 103 Fe 0.16666666666667 0.25000000000000 0.37500000000000 55.845 > 97 104 Fe 0.50000000000000 0.25000000000000 0.37500000000000 55.845 > 97 105 Fe 0.83333333333333 0.25000000000000 0.37500000000000 55.845 > 97 106 Fe 0.16666666666667 0.75000000000000 0.37500000000000 55.845 > 97 107 Fe 0.50000000000000 0.75000000000000 0.37500000000000 55.845 > 97 108 Fe 0.83333333333333 0.75000000000000 0.37500000000000 55.845 > 97 109 Fe 0.16666666666667 0.25000000000000 0.62500000000000 55.845 > 97 110 Fe 0.50000000000000 0.25000000000000 0.62500000000000 55.845 > 97 111 Fe 0.83333333333333 0.25000000000000 0.62500000000000 55.845 > 97 112 Fe 0.16666666666667 0.75000000000000 0.62500000000000 55.845 > 97 113 Fe 0.50000000000000 0.75000000000000 0.62500000000000 55.845 > 97 114 Fe 0.83333333333333 0.75000000000000 0.62500000000000 55.845 > 97 115 Fe 0.16666666666667 0.25000000000000 0.87500000000000 55.845 > 97 116 Fe 0.50000000000000 0.25000000000000 0.87500000000000 55.845 > 97 117 Fe 0.83333333333333 0.25000000000000 0.87500000000000 55.845 > 97 118 Fe 0.16666666666667 0.75000000000000 0.87500000000000 55.845 > 97 119 Fe 0.50000000000000 0.75000000000000 0.87500000000000 55.845 > 97 120 Fe 0.83333333333333 0.75000000000000 0.87500000000000 55.845 > 97 121 Fe 0.00000000000000 0.00000000000000 0.00000000000000 55.845 > 121 122 Fe 0.33333333333333 0.00000000000000 0.00000000000000 55.845 > 121 123 Fe 0.66666666666667 0.00000000000000 0.00000000000000 55.845 > 121 124 Fe 0.00000000000000 0.50000000000000 0.00000000000000 55.845 > 121 125 Fe 0.33333333333333 0.50000000000000 0.00000000000000 55.845 > 121 126 Fe 0.66666666666667 0.50000000000000 0.00000000000000 55.845 > 121 127 Fe 0.00000000000000 0.00000000000000 0.25000000000000 55.845 > 121 128 Fe 0.33333333333333 0.00000000000000 0.25000000000000 55.845 > 121 129 Fe 0.66666666666667 0.00000000000000 0.25000000000000 55.845 > 121 130 Fe 0.00000000000000 0.50000000000000 0.25000000000000 55.845 > 121 131 Fe 0.33333333333333 0.50000000000000 0.25000000000000 55.845 > 121 132 Fe 0.66666666666667 0.50000000000000 0.25000000000000 55.845 > 121 133 Fe 0.00000000000000 0.00000000000000 0.50000000000000 55.845 > 121 134 Fe 0.33333333333333 0.00000000000000 0.50000000000000 55.845 > 121 135 Fe 0.66666666666667 0.00000000000000 0.50000000000000 55.845 > 121 136 Fe 0.00000000000000 0.50000000000000 0.50000000000000 55.845 > 121 137 Fe 0.33333333333333 0.50000000000000 0.50000000000000 55.845 > 121 138 Fe 0.66666666666667 0.50000000000000 0.50000000000000 55.845 > 121 139 Fe 0.00000000000000 0.00000000000000 0.75000000000000 55.845 > 121 140 Fe 0.33333333333333 0.00000000000000 0.75000000000000 55.845 > 121 141 Fe 0.66666666666667 0.00000000000000 0.75000000000000 55.845 > 121 142 Fe 0.00000000000000 0.50000000000000 0.75000000000000 55.845 > 121 143 Fe 0.33333333333333 0.50000000000000 0.75000000000000 55.845 > 121 144 Fe 0.66666666666667 0.50000000000000 0.75000000000000 55.845 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 22.2458467 0.0000000 0.0000000 0.0000000 26.6988411 0.0000000 0.0000000 0.0000000 19.2833122 -------------------------- Born effective charges -------------------------- 1 P 3.0746256 -0.4248940 0.0000000 -0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 2 P 3.0746256 -0.4248940 0.0000000 -0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 3 P 3.0746256 0.4248940 0.0000000 0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 4 P 3.0746256 0.4248940 0.0000000 0.2356401 2.8298609 0.0000000 0.0000000 0.0000000 3.5295572 5 Fe -6.1492512 -0.0831252 0.0000000 -1.1006522 -5.6597219 0.0000000 0.0000000 0.0000000 -7.0591144 6 Fe -6.1492512 0.0831252 0.0000000 1.1006522 -5.6597219 0.0000000 0.0000000 0.0000000 -7.0591144 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 19 ] 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: 0.99, Number of G-points: 303, Lambda: 0.49 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/300) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 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 6.230 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.676 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 12.384 ( 0.000 0.000 0.000) 0.000 12.865 ( 0.000 0.000 0.000) 0.000 13.174 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 14.450 ( 0.000 0.000 0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/300) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 61.945 0.000 0.000) 61.945 1.282 ( 62.444 0.000 0.000) 62.444 1.831 ( 88.853 0.000 0.000) 88.853 6.265 ( 3.299 0.000 0.000) 3.299 7.684 ( 6.584 0.000 0.000) 6.584 7.758 ( -1.680 0.000 0.000) 1.680 7.929 ( -13.062 0.000 0.000) 13.062 8.586 ( 7.527 0.000 0.000) 7.527 8.672 ( -15.510 0.000 0.000) 15.510 9.506 ( -1.561 0.000 0.000) 1.561 9.855 ( -1.273 0.000 0.000) 1.273 10.131 ( -9.705 0.000 0.000) 9.705 12.432 ( 4.375 0.000 0.000) 4.375 13.193 ( -8.170 0.000 0.000) 8.170 13.242 ( 6.407 0.000 0.000) 6.407 14.479 ( 2.146 0.000 0.000) 2.146 14.765 ( -1.556 0.000 0.000) 1.556 15.150 ( -0.573 0.000 0.000) 0.573 ======================= Grid point 2 (3/300) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 58.186 0.000 0.000) 58.186 2.528 ( 59.891 0.000 0.000) 59.891 3.588 ( 83.367 0.000 0.000) 83.367 6.349 ( 4.348 0.000 0.000) 4.348 7.615 ( -16.985 0.000 0.000) 16.985 7.705 ( -3.580 0.000 0.000) 3.580 7.862 ( 10.344 0.000 0.000) 10.344 8.233 ( -26.765 0.000 0.000) 26.765 8.743 ( 7.585 0.000 0.000) 7.585 9.459 ( -3.089 0.000 0.000) 3.089 9.788 ( -6.298 0.000 0.000) 6.298 9.859 ( -16.390 0.000 0.000) 16.390 12.540 ( 5.689 0.000 0.000) 5.689 12.990 ( -10.643 0.000 0.000) 10.643 13.417 ( 10.346 0.000 0.000) 10.346 14.489 ( -2.157 0.000 0.000) 2.157 14.755 ( 1.362 0.000 0.000) 1.362 15.130 ( -1.424 0.000 0.000) 1.424 ======================= Grid point 3 (4/300) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 52.511 0.000 0.000) 52.511 3.708 ( 55.995 0.000 0.000) 55.995 5.188 ( 72.583 0.000 0.000) 72.583 6.383 ( -3.545 0.000 0.000) 3.545 7.291 ( -12.577 0.000 0.000) 12.577 7.611 ( -5.704 0.000 0.000) 5.704 7.621 ( -32.141 0.000 0.000) 32.141 8.081 ( 10.651 0.000 0.000) 10.651 8.891 ( 7.013 0.000 0.000) 7.013 9.382 ( -4.465 0.000 0.000) 4.465 9.494 ( -18.780 0.000 0.000) 18.780 9.557 ( -17.223 0.000 0.000) 17.223 12.644 ( 4.231 0.000 0.000) 4.231 12.803 ( -6.997 0.000 0.000) 6.997 13.642 ( 11.372 0.000 0.000) 11.372 14.394 ( -6.454 0.000 0.000) 6.454 14.814 ( 3.749 0.000 0.000) 3.749 15.091 ( -2.429 0.000 0.000) 2.429 ======================= Grid point 4 (5/300) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( 45.462 0.000 0.000) 45.462 4.798 ( 50.930 0.000 0.000) 50.930 6.104 ( -24.044 0.000 0.000) 24.044 6.298 ( 14.550 0.000 0.000) 14.550 7.158 ( 8.105 0.000 0.000) 8.105 7.191 ( 2.453 0.000 0.000) 2.453 7.475 ( -7.589 0.000 0.000) 7.589 8.255 ( 3.616 0.000 0.000) 3.616 9.030 ( 6.605 0.000 0.000) 6.605 9.095 ( -25.460 0.000 0.000) 25.460 9.125 ( -16.749 0.000 0.000) 16.749 9.280 ( -5.521 0.000 0.000) 5.521 12.703 ( 1.515 0.000 0.000) 1.515 12.718 ( -1.601 0.000 0.000) 1.601 13.868 ( 10.586 0.000 0.000) 10.586 14.245 ( -8.045 0.000 0.000) 8.045 14.891 ( 3.756 0.000 0.000) 3.756 15.034 ( -3.174 0.000 0.000) 3.174 ======================= Grid point 5 (6/300) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.470 ( -36.957 0.000 0.000) 36.957 5.470 ( 36.957 0.000 0.000) 36.957 5.764 ( -43.140 0.000 0.000) 43.140 5.764 ( 43.140 0.000 0.000) 43.140 7.313 ( -7.882 0.000 0.000) 7.882 7.313 ( 7.882 0.000 0.000) 7.882 7.915 ( -39.139 0.000 0.000) 39.139 7.915 ( 39.139 0.000 0.000) 39.139 8.863 ( -6.145 0.000 0.000) 6.145 8.863 ( 6.145 0.000 0.000) 6.145 9.160 ( -6.193 0.000 0.000) 6.193 9.160 ( 6.193 0.000 0.000) 6.193 12.712 ( -0.258 0.000 0.000) 0.258 12.712 ( 0.258 0.000 0.000) 0.258 14.069 ( -9.257 0.000 0.000) 9.257 14.069 ( 9.257 0.000 0.000) 9.257 14.965 ( -3.513 0.000 0.000) 3.513 14.965 ( 3.513 0.000 0.000) 3.513 ======================= Grid point 11 (7/300) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 43.167 0.000) 43.167 1.287 ( 0.000 63.703 0.000) 63.703 1.924 ( 0.000 94.909 0.000) 94.909 6.069 ( 0.000 -15.760 0.000) 15.760 7.583 ( 0.000 -15.454 0.000) 15.454 7.748 ( 0.000 -1.764 0.000) 1.764 8.073 ( 0.000 -1.286 0.000) 1.286 8.595 ( 0.000 9.673 0.000) 9.673 8.670 ( 0.000 -0.514 0.000) 0.514 9.515 ( 0.000 -0.765 0.000) 0.765 9.986 ( 0.000 -8.507 0.000) 8.507 10.263 ( 0.000 -10.470 0.000) 10.470 12.475 ( 0.000 8.544 0.000) 8.544 12.888 ( 0.000 2.305 0.000) 2.305 13.278 ( 0.000 9.945 0.000) 9.945 14.438 ( 0.000 -1.373 0.000) 1.373 14.612 ( 0.000 -3.174 0.000) 3.174 14.760 ( 0.000 -2.262 0.000) 2.262 ======================= Grid point 12 (8/300) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 51.018 23.571 0.000) 56.200 1.720 ( 40.800 42.249 0.000) 58.733 2.691 ( 61.372 68.505 0.000) 91.975 6.109 ( 3.850 -15.177 0.000) 15.658 7.587 ( 2.885 -12.503 0.000) 12.832 7.720 ( -3.050 -2.244 0.000) 3.787 7.959 ( -9.820 1.536 0.000) 9.939 8.610 ( -9.896 -3.381 0.000) 10.458 8.664 ( 5.621 7.290 0.000) 9.205 9.499 ( -1.583 -0.788 0.000) 1.768 9.714 ( -14.786 -9.356 0.000) 17.497 10.200 ( -5.141 -1.488 0.000) 5.352 12.489 ( 1.706 5.853 0.000) 6.097 13.065 ( 3.999 -5.614 0.000) 6.893 13.346 ( 5.199 9.268 0.000) 10.626 14.460 ( 2.391 -1.703 0.000) 2.935 14.688 ( -0.776 -6.851 0.000) 6.895 14.888 ( 11.230 -11.386 0.000) 15.993 ======================= Grid point 13 (9/300) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 54.650 12.685 0.000) 56.103 2.716 ( 53.170 20.064 0.000) 56.830 4.082 ( 71.593 44.293 0.000) 84.187 6.210 ( 5.426 -13.505 0.000) 14.554 7.583 ( -11.708 -1.385 0.000) 11.789 7.690 ( 4.896 -15.906 0.000) 16.642 7.758 ( -7.858 3.249 0.000) 8.503 8.267 ( -20.799 1.976 0.000) 20.893 8.790 ( 6.375 4.487 0.000) 7.795 9.451 ( -3.097 -0.820 0.000) 3.204 9.461 ( -12.203 -17.483 0.000) 21.320 10.057 ( -9.243 5.463 0.000) 10.736 12.530 ( 1.942 0.208 0.000) 1.953 13.021 ( -5.863 2.536 0.000) 6.388 13.484 ( 8.509 6.496 0.000) 10.705 14.468 ( -3.135 -2.423 0.000) 3.962 14.686 ( 2.277 -5.618 0.000) 6.062 15.029 ( 2.989 -8.714 0.000) 9.212 ======================= Grid point 14 (10/300) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( 50.651 7.749 0.000) 51.240 3.802 ( 52.788 10.102 0.000) 53.746 5.502 ( 65.778 29.410 0.000) 72.054 6.278 ( -0.981 -10.233 0.000) 10.280 7.308 ( -12.328 1.649 0.000) 12.438 7.512 ( -25.050 -11.352 0.000) 27.502 7.621 ( -6.682 0.812 0.000) 6.731 8.069 ( 5.072 -0.389 0.000) 5.087 8.917 ( 6.176 2.542 0.000) 6.679 9.177 ( -15.600 -17.698 0.000) 23.592 9.374 ( -4.395 -0.759 0.000) 4.460 9.794 ( -17.564 9.975 0.000) 20.199 12.566 ( 1.900 -4.132 0.000) 4.548 12.899 ( -5.399 6.267 0.000) 8.272 13.675 ( 9.824 3.067 0.000) 10.292 14.354 ( -7.016 -4.306 0.000) 8.232 14.763 ( 4.385 -4.065 0.000) 5.979 15.042 ( -1.116 -5.128 0.000) 5.248 ======================= Grid point 15 (11/300) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.675 ( 44.018 4.555 0.000) 44.253 4.841 ( 49.043 4.717 0.000) 49.269 6.067 ( -20.687 -3.703 0.000) 21.016 6.417 ( -1.739 9.805 0.000) 9.958 7.188 ( 1.283 -0.131 0.000) 1.290 7.194 ( 20.881 4.046 0.000) 21.269 7.471 ( -8.138 -0.478 0.000) 8.152 8.222 ( 5.141 -2.260 0.000) 5.616 8.857 ( -13.772 -13.563 0.000) 19.329 9.041 ( 6.003 1.138 0.000) 6.110 9.275 ( -5.308 -0.473 0.000) 5.329 9.335 ( -26.360 10.827 0.000) 28.497 12.622 ( 3.716 -3.529 0.000) 5.124 12.803 ( -4.375 4.189 0.000) 6.057 13.869 ( 9.119 -0.083 0.000) 9.119 14.203 ( -7.640 -4.449 0.000) 8.841 14.850 ( 4.095 -3.516 0.000) 5.397 14.998 ( -2.957 -3.679 0.000) 4.720 ======================= Grid point 16 (12/300) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.484 ( -35.144 1.384 0.000) 35.171 5.484 ( 35.144 1.384 0.000) 35.171 5.781 ( -42.723 1.785 0.000) 42.760 5.781 ( 42.723 1.785 0.000) 42.760 7.301 ( -8.011 -1.154 0.000) 8.093 7.301 ( 8.011 -1.154 0.000) 8.093 7.963 ( -33.388 3.620 0.000) 33.584 7.963 ( 33.388 3.620 0.000) 33.584 8.857 ( -15.945 0.601 0.000) 15.956 8.857 ( 15.945 0.601 0.000) 15.956 9.161 ( -5.794 0.143 0.000) 5.795 9.161 ( 5.794 0.143 0.000) 5.795 12.711 ( -4.704 0.022 0.000) 4.704 12.711 ( 4.704 0.022 0.000) 4.704 14.044 ( -8.106 -2.841 0.000) 8.589 14.044 ( 8.106 -2.841 0.000) 8.589 14.929 ( -3.703 -3.348 0.000) 4.992 14.929 ( 3.703 -3.348 0.000) 4.992 ======================= Grid point 22 (13/300) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 43.311 0.000) 43.311 2.523 ( 0.000 59.961 0.000) 59.961 3.747 ( 0.000 87.072 0.000) 87.072 5.629 ( 0.000 -27.603 0.000) 27.603 7.158 ( 0.000 -26.126 0.000) 26.126 7.733 ( 0.000 0.489 0.000) 0.489 8.036 ( 0.000 -2.454 0.000) 2.454 8.657 ( 0.000 -1.071 0.000) 1.071 8.818 ( 0.000 11.747 0.000) 11.747 9.490 ( 0.000 -1.808 0.000) 1.808 9.726 ( 0.000 -17.474 0.000) 17.474 9.992 ( 0.000 -15.864 0.000) 15.864 12.687 ( 0.000 11.767 0.000) 11.767 12.954 ( 0.000 4.204 0.000) 4.204 13.539 ( 0.000 15.286 0.000) 15.286 14.385 ( 0.000 -4.099 0.000) 4.099 14.526 ( 0.000 -5.176 0.000) 5.176 14.705 ( 0.000 -3.168 0.000) 3.168 ======================= Grid point 23 (14/300) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 35.487 34.139 0.000) 49.242 2.712 ( 19.643 53.301 0.000) 56.805 4.177 ( 38.407 76.150 0.000) 85.287 5.687 ( 5.558 -26.417 0.000) 26.995 7.192 ( 3.242 -25.535 0.000) 25.740 7.701 ( -3.332 0.447 0.000) 3.362 7.965 ( -6.563 -0.915 0.000) 6.627 8.569 ( -9.034 -1.200 0.000) 9.113 8.845 ( 2.466 10.129 0.000) 10.425 9.473 ( -1.620 -1.825 0.000) 2.441 9.488 ( -17.265 -13.566 0.000) 21.957 10.034 ( 1.639 -14.033 0.000) 14.129 12.652 ( -2.810 9.844 0.000) 10.237 13.031 ( 4.519 1.161 0.000) 4.666 13.591 ( 3.723 14.514 0.000) 14.984 14.408 ( 2.404 -3.769 0.000) 4.471 14.551 ( 0.093 -6.576 0.000) 6.577 14.726 ( 3.501 -6.644 0.000) 7.510 ======================= Grid point 24 (15/300) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 46.302 22.342 0.000) 51.410 3.303 ( 36.625 36.831 0.000) 51.942 5.143 ( 53.349 57.832 0.000) 78.681 5.838 ( 8.682 -23.073 0.000) 24.652 7.266 ( 2.414 -25.599 0.000) 25.713 7.582 ( -8.901 1.186 0.000) 8.980 7.801 ( -8.591 0.880 0.000) 8.636 8.303 ( -15.197 2.056 0.000) 15.335 8.909 ( 3.588 7.060 0.000) 7.919 9.150 ( -15.531 -13.940 0.000) 20.870 9.425 ( -3.069 -1.810 0.000) 3.563 10.033 ( -2.254 -7.898 0.000) 8.214 12.585 ( -3.397 5.579 0.000) 6.532 13.070 ( -0.888 2.067 0.000) 2.250 13.663 ( 3.741 11.001 0.000) 11.620 14.383 ( -6.242 -5.858 0.000) 8.561 14.585 ( 4.771 -4.136 0.000) 6.314 14.826 ( 4.738 -11.132 0.000) 12.098 ======================= Grid point 25 (16/300) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 45.550 14.478 0.000) 47.795 4.125 ( 42.793 22.066 0.000) 48.147 5.997 ( 5.191 -17.454 0.000) 18.210 6.241 ( 51.732 41.414 0.000) 66.267 7.168 ( -14.222 -22.352 0.000) 26.493 7.355 ( -11.820 2.986 0.000) 12.191 7.632 ( -8.324 -0.021 0.000) 8.324 8.108 ( -0.159 5.055 0.000) 5.058 8.842 ( -15.123 -15.678 0.000) 21.783 8.987 ( 4.049 4.240 0.000) 5.863 9.351 ( -4.134 -1.582 0.000) 4.426 9.904 ( -11.607 0.375 0.000) 11.613 12.539 ( -0.384 1.894 0.000) 1.933 13.006 ( -5.028 4.200 0.000) 6.551 13.750 ( 4.645 3.982 0.000) 6.119 14.221 ( -8.551 -8.628 0.000) 12.147 14.690 ( 4.921 -2.917 0.000) 5.720 14.891 ( 1.592 -9.440 0.000) 9.573 ======================= Grid point 26 (17/300) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( 39.776 8.573 0.000) 40.689 5.000 ( 42.573 11.449 0.000) 44.085 5.954 ( -11.538 -7.652 0.000) 13.845 6.556 ( -29.062 1.060 0.000) 29.082 7.194 ( -2.007 0.862 0.000) 2.185 7.330 ( 39.009 8.959 0.000) 40.025 7.452 ( -9.300 -1.437 0.000) 9.410 8.246 ( 5.360 6.652 0.000) 8.543 8.581 ( -3.807 -13.012 0.000) 13.558 9.073 ( 4.399 1.971 0.000) 4.821 9.261 ( -4.654 -0.939 0.000) 4.748 9.533 ( -24.707 8.384 0.000) 26.091 12.587 ( 4.973 0.434 0.000) 4.992 12.879 ( -7.232 3.554 0.000) 8.058 13.844 ( 4.478 -3.246 0.000) 5.531 14.059 ( -7.011 -9.867 0.000) 12.104 14.780 ( 3.971 -3.012 0.000) 4.984 14.894 ( -1.149 -6.128 0.000) 6.235 ======================= Grid point 27 (18/300) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.521 ( -29.575 2.187 0.000) 29.656 5.521 ( 29.575 2.187 0.000) 29.656 5.836 ( -39.123 3.668 0.000) 39.294 5.836 ( 39.123 3.668 0.000) 39.294 7.270 ( -7.795 -1.865 0.000) 8.015 7.270 ( 7.795 -1.865 0.000) 8.015 7.986 ( -24.078 -2.568 0.000) 24.215 7.986 ( 24.078 -2.568 0.000) 24.215 8.952 ( -29.650 9.821 0.000) 31.235 8.952 ( 29.650 9.821 0.000) 31.235 9.165 ( -4.670 0.241 0.000) 4.676 9.165 ( 4.670 0.241 0.000) 4.676 12.723 ( -7.746 1.484 0.000) 7.887 12.723 ( 7.746 1.484 0.000) 7.887 13.938 ( -5.068 -8.237 0.000) 9.671 13.938 ( 5.068 -8.237 0.000) 9.671 14.851 ( -2.933 -3.879 0.000) 4.863 14.851 ( 2.933 -3.879 0.000) 4.863 ======================= Grid point 33 (19/300) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 0.000 43.110 0.000) 43.110 3.664 ( 0.000 54.374 0.000) 54.374 4.998 ( 0.000 -35.103 0.000) 35.103 5.308 ( 0.000 63.102 0.000) 63.102 6.626 ( 0.000 -20.979 0.000) 20.979 7.766 ( 0.000 2.590 0.000) 2.590 7.977 ( 0.000 -3.357 0.000) 3.357 8.579 ( 0.000 -10.242 0.000) 10.242 9.041 ( 0.000 10.296 0.000) 10.296 9.334 ( 0.000 -18.362 0.000) 18.362 9.440 ( 0.000 -3.328 0.000) 3.328 9.663 ( 0.000 -16.467 0.000) 16.467 12.913 ( 0.000 10.203 0.000) 10.203 13.044 ( 0.000 4.445 0.000) 4.445 13.847 ( 0.000 14.543 0.000) 14.543 14.283 ( 0.000 -5.669 0.000) 5.669 14.425 ( 0.000 -4.129 0.000) 4.129 14.630 ( 0.000 -4.553 0.000) 4.553 ======================= Grid point 34 (20/300) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 24.719 37.961 0.000) 45.299 3.766 ( 10.568 51.536 0.000) 52.609 5.085 ( 8.368 -33.352 0.000) 34.386 5.558 ( 22.841 53.187 0.000) 57.884 6.683 ( 5.471 -17.181 0.000) 18.032 7.733 ( -3.301 2.547 0.000) 4.169 7.928 ( -4.767 -2.630 0.000) 5.444 8.516 ( -6.327 -7.058 0.000) 9.479 9.044 ( 0.330 9.448 0.000) 9.453 9.197 ( -12.063 -13.500 0.000) 18.104 9.423 ( -1.596 -3.289 0.000) 3.656 9.686 ( 2.290 -19.578 0.000) 19.711 12.856 ( -4.820 9.985 0.000) 11.088 13.074 ( 1.893 2.370 0.000) 3.033 13.892 ( 2.688 14.861 0.000) 15.102 14.318 ( 3.264 -4.708 0.000) 5.729 14.422 ( -0.584 -6.144 0.000) 6.171 14.600 ( -1.929 -6.400 0.000) 6.685 ======================= Grid point 35 (21/300) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 36.756 28.289 0.000) 46.382 4.107 ( 22.619 42.390 0.000) 48.047 5.318 ( 13.741 -28.618 0.000) 31.746 6.130 ( 30.151 22.261 0.000) 37.478 6.842 ( 10.072 0.612 0.000) 10.090 7.624 ( -7.720 2.815 0.000) 8.217 7.794 ( -7.997 -1.440 0.000) 8.126 8.341 ( -9.240 0.127 0.000) 9.241 8.906 ( -15.508 -9.142 0.000) 18.002 9.055 ( 0.818 7.335 0.000) 7.380 9.377 ( -2.871 -3.085 0.000) 4.214 9.751 ( 3.553 -19.816 0.000) 20.132 12.741 ( -5.930 9.387 0.000) 11.103 13.094 ( -0.239 0.029 0.000) 0.240 13.896 ( -2.436 11.681 0.000) 11.932 14.263 ( -9.041 -5.405 0.000) 10.534 14.503 ( 7.932 -4.609 0.000) 9.174 14.607 ( 2.943 -10.068 0.000) 10.490 ======================= Grid point 36 (22/300) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( 38.299 19.487 0.000) 42.971 4.653 ( 30.109 30.019 0.000) 42.517 5.603 ( 12.951 -21.581 0.000) 25.169 6.579 ( 7.843 -27.045 0.000) 28.160 7.116 ( 18.014 34.970 0.000) 39.337 7.423 ( -11.276 3.746 0.000) 11.882 7.616 ( -9.467 -1.635 0.000) 9.608 8.264 ( 5.326 6.951 0.000) 8.757 8.586 ( -15.688 -5.855 0.000) 16.745 9.079 ( 1.485 4.778 0.000) 5.004 9.310 ( -3.547 -2.514 0.000) 4.348 9.785 ( -1.705 -12.698 0.000) 12.812 12.644 ( -2.762 8.305 0.000) 8.752 13.057 ( -3.497 0.615 0.000) 3.551 13.810 ( -5.344 1.565 0.000) 5.568 14.043 ( -11.379 -8.383 0.000) 14.133 14.640 ( 5.286 -2.401 0.000) 5.806 14.705 ( 5.558 -7.935 0.000) 9.688 ======================= Grid point 37 (23/300) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.009 ( 32.972 11.574 0.000) 34.944 5.292 ( 31.875 17.437 0.000) 36.333 5.766 ( 0.641 -11.081 0.000) 11.100 6.426 ( -19.183 -13.125 0.000) 23.243 7.226 ( -5.997 2.361 0.000) 6.445 7.412 ( -10.228 -2.577 0.000) 10.548 7.509 ( 18.883 8.970 0.000) 20.905 8.229 ( -16.359 -12.796 0.000) 20.769 8.644 ( 26.080 22.146 0.000) 34.214 9.117 ( 2.257 2.335 0.000) 3.248 9.237 ( -3.534 -1.413 0.000) 3.806 9.630 ( -14.253 0.213 0.000) 14.255 12.653 ( 3.787 6.361 0.000) 7.403 12.948 ( -7.174 3.251 0.000) 7.876 13.715 ( -3.003 -9.440 0.000) 9.907 13.835 ( -8.485 -11.785 0.000) 14.521 14.734 ( 3.944 -1.641 0.000) 4.272 14.787 ( 2.147 -3.969 0.000) 4.513 ======================= Grid point 38 (24/300) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.565 ( -20.080 2.000 0.000) 20.180 5.565 ( 20.080 2.000 0.000) 20.180 5.919 ( -28.998 4.266 0.000) 29.310 5.919 ( 28.998 4.266 0.000) 29.310 7.232 ( -6.076 -1.747 0.000) 6.322 7.232 ( 6.076 -1.747 0.000) 6.322 7.879 ( -17.736 -6.735 0.000) 18.972 7.879 ( 17.736 -6.735 0.000) 18.972 9.170 ( -3.009 0.234 0.000) 3.018 9.170 ( 3.009 0.234 0.000) 3.018 9.209 ( -26.170 13.859 0.000) 29.613 9.209 ( 26.170 13.859 0.000) 29.613 12.783 ( -8.225 4.842 0.000) 9.544 12.783 ( 8.225 4.842 0.000) 9.544 13.714 ( -3.085 -13.605 0.000) 13.950 13.714 ( 3.085 -13.605 0.000) 13.950 14.792 ( -1.510 -1.906 0.000) 2.432 14.792 ( 1.510 -1.906 0.000) 2.432 ======================= Grid point 44 (25/300) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 0.000 42.053 0.000) 42.053 4.249 ( 0.000 -39.594 0.000) 39.594 4.680 ( 0.000 47.299 0.000) 47.299 5.512 ( 0.000 -32.910 0.000) 32.910 7.058 ( 0.000 54.084 0.000) 54.084 7.829 ( 0.000 3.638 0.000) 3.638 7.905 ( 0.000 -3.818 0.000) 3.818 8.061 ( 0.000 -41.618 0.000) 41.618 9.183 ( 0.000 3.260 0.000) 3.260 9.222 ( 0.000 7.847 0.000) 7.847 9.354 ( 0.000 -5.386 0.000) 5.386 9.362 ( 0.000 -13.026 0.000) 13.026 13.070 ( 0.000 5.105 0.000) 5.105 13.107 ( 0.000 1.173 0.000) 1.173 14.074 ( 0.000 7.487 0.000) 7.487 14.178 ( 0.000 -4.596 0.000) 4.596 14.404 ( 0.000 2.991 0.000) 2.991 14.517 ( 0.000 -6.620 0.000) 6.620 ======================= Grid point 45 (26/300) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 17.455 38.700 0.000) 42.454 4.378 ( 12.247 -37.203 0.000) 39.167 4.744 ( 6.508 46.210 0.000) 46.666 5.575 ( 5.996 -34.747 0.000) 35.260 7.197 ( 12.896 51.250 0.000) 52.848 7.795 ( -3.433 3.482 0.000) 4.890 7.866 ( -3.859 -3.466 0.000) 5.187 8.105 ( 3.529 -35.601 0.000) 35.776 9.099 ( -7.694 4.770 0.000) 9.053 9.213 ( -0.832 7.433 0.000) 7.480 9.319 ( -3.187 -15.834 0.000) 16.152 9.339 ( -1.389 -5.216 0.000) 5.398 13.025 ( -3.970 6.370 0.000) 7.506 13.096 ( -1.297 -0.825 0.000) 1.537 14.144 ( 4.787 8.903 0.000) 10.109 14.239 ( 5.883 -3.179 0.000) 6.687 14.346 ( -5.399 0.540 0.000) 5.426 14.458 ( -4.856 -7.785 0.000) 9.175 ======================= Grid point 46 (27/300) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 27.885 31.065 0.000) 41.744 4.718 ( 20.189 -31.143 0.000) 37.115 4.952 ( 13.859 41.765 0.000) 44.004 5.744 ( 10.127 -36.545 0.000) 37.923 7.518 ( 16.110 41.140 0.000) 44.182 7.686 ( -7.333 3.327 0.000) 8.052 7.750 ( -7.465 -2.856 0.000) 7.992 8.156 ( 0.512 -21.194 0.000) 21.200 8.916 ( -8.506 11.619 0.000) 14.400 9.192 ( -1.151 6.224 0.000) 6.330 9.295 ( 2.143 -23.724 0.000) 23.820 9.300 ( -2.309 -4.632 0.000) 5.175 12.928 ( -5.051 8.581 0.000) 9.957 13.057 ( -2.330 -4.086 0.000) 4.704 14.096 ( -10.124 7.370 0.000) 12.522 14.183 ( -11.609 -2.889 0.000) 11.963 14.413 ( 10.165 -2.623 0.000) 10.498 14.451 ( 5.746 -5.552 0.000) 7.990 ======================= Grid point 47 (28/300) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.695 ( 29.982 22.426 0.000) 37.441 5.153 ( 21.368 -23.157 0.000) 31.509 5.290 ( 18.694 33.269 0.000) 38.161 5.957 ( 9.775 -33.113 0.000) 34.525 7.499 ( -10.740 3.773 0.000) 11.383 7.568 ( -10.181 -3.029 0.000) 10.622 7.725 ( 2.529 24.336 0.000) 24.467 8.119 ( -4.574 -16.023 0.000) 16.663 8.864 ( 6.174 26.409 0.000) 27.121 9.171 ( -0.793 4.392 0.000) 4.463 9.250 ( -2.475 -3.516 0.000) 4.300 9.403 ( 7.068 -24.794 0.000) 25.782 12.841 ( -2.948 10.364 0.000) 10.775 13.010 ( -2.062 -5.696 0.000) 6.058 13.828 ( -14.792 1.533 0.000) 14.871 13.902 ( -14.892 -5.690 0.000) 15.942 14.595 ( 7.344 -1.154 0.000) 7.434 14.610 ( 8.172 -2.302 0.000) 8.490 ======================= Grid point 48 (29/300) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 460 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.259 ( 23.917 13.160 0.000) 27.298 5.523 ( 12.952 -13.033 0.000) 18.374 5.676 ( 18.241 20.567 0.000) 27.490 6.086 ( 1.499 -19.799 0.000) 19.856 7.284 ( -8.943 3.316 0.000) 9.538 7.352 ( -10.272 -3.342 0.000) 10.802 7.708 ( -0.736 11.309 0.000) 11.333 7.957 ( -10.123 -13.469 0.000) 16.849 9.134 ( 16.749 23.632 0.000) 28.966 9.163 ( 0.036 2.254 0.000) 2.255 9.204 ( -1.949 -1.886 0.000) 2.712 9.508 ( 1.558 -12.787 0.000) 12.882 12.827 ( 1.829 10.039 0.000) 10.204 12.973 ( -2.043 -2.580 0.000) 3.291 13.549 ( -10.976 -3.939 0.000) 11.661 13.616 ( -12.218 -9.102 0.000) 15.236 14.718 ( 4.538 0.121 0.000) 4.540 14.736 ( 4.010 -1.567 0.000) 4.305 ======================= Grid point 49 (30/300) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.594 ( -7.172 0.813 0.000) 7.217 5.594 ( 7.172 0.813 0.000) 7.217 5.986 ( -11.046 2.013 0.000) 11.228 5.986 ( 11.046 2.013 0.000) 11.228 7.206 ( -2.350 -0.720 0.000) 2.458 7.206 ( 2.350 -0.720 0.000) 2.458 7.770 ( -6.965 -3.250 0.000) 7.686 7.770 ( 6.965 -3.250 0.000) 7.686 9.174 ( -1.036 0.098 0.000) 1.041 9.174 ( 1.036 0.098 0.000) 1.041 9.424 ( -9.976 6.227 0.000) 11.760 9.424 ( 9.976 6.227 0.000) 11.760 12.904 ( -4.673 5.732 0.000) 7.396 12.904 ( 4.673 5.732 0.000) 7.396 13.454 ( -2.400 -9.920 0.000) 10.207 13.454 ( 2.400 -9.920 0.000) 10.207 14.771 ( -0.518 -0.412 0.000) 0.662 14.771 ( 0.518 -0.412 0.000) 0.662 ======================= Grid point 99 (31/300) ======================= q-point: ( 0.00 0.00 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.000 0.000 42.882) 42.882 1.219 ( 0.000 0.000 61.370) 61.370 1.612 ( 0.000 0.000 81.085) 81.085 6.398 ( 0.000 0.000 16.656) 16.656 7.659 ( 0.000 0.000 4.530) 4.530 7.870 ( 0.000 0.000 9.311) 9.311 8.204 ( 0.000 0.000 11.600) 11.600 8.641 ( 0.000 0.000 15.357) 15.357 8.653 ( 0.000 0.000 -2.292) 2.292 9.871 ( 0.000 0.000 0.615) 0.615 10.089 ( 0.000 0.000 2.113) 2.113 12.370 ( 0.000 0.000 -1.327) 1.327 12.842 ( 0.000 0.000 -2.299) 2.299 13.151 ( 0.000 0.000 -2.226) 2.226 13.249 ( 0.000 0.000 -3.345) 3.345 14.041 ( 0.000 0.000 2.042) 2.042 14.424 ( 0.000 0.000 -2.561) 2.561 14.741 ( 0.000 0.000 -4.420) 4.420 ======================= Grid point 100 (32/300) ======================= q-point: ( 0.10 0.00 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 39.923 0.000 29.619) 49.711 1.527 ( 51.361 0.000 22.776) 56.185 2.625 ( 67.868 0.000 59.549) 90.289 6.433 ( 3.280 0.000 16.635) 16.955 7.724 ( 5.899 0.000 4.075) 7.169 7.861 ( -1.187 0.000 9.767) 9.839 8.051 ( -12.696 0.000 11.896) 17.398 8.547 ( -11.230 0.000 -4.560) 12.120 8.739 ( 7.508 0.000 15.129) 16.890 9.861 ( -1.306 0.000 0.592) 1.434 9.970 ( -11.033 0.000 6.078) 12.597 11.030 ( -67.804 0.000 70.480) 97.800 12.419 ( 4.267 0.000 -1.286) 4.456 13.164 ( -7.784 0.000 -2.908) 8.309 13.231 ( 6.244 0.000 -1.206) 6.359 14.449 ( 1.711 0.000 -3.034) 3.484 14.724 ( -1.229 0.000 -4.083) 4.264 14.807 ( 18.162 0.000 -24.530) 30.522 ======================= Grid point 101 (33/300) ======================= q-point: ( 0.20 0.00 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 56.849 0.000 3.887) 56.982 2.643 ( 56.114 0.000 11.322) 57.245 4.066 ( 71.557 0.000 41.562) 82.751 6.516 ( 4.232 0.000 16.518) 17.051 7.707 ( -15.739 0.000 8.490) 17.883 7.814 ( -3.652 0.000 10.212) 10.845 7.919 ( 8.327 0.000 6.241) 10.406 8.187 ( -23.390 0.000 -2.808) 23.558 8.899 ( 7.905 0.000 15.432) 17.339 9.704 ( -13.677 0.000 8.713) 16.216 9.793 ( -6.198 0.000 0.667) 6.234 10.201 ( -24.996 0.000 40.785) 47.835 12.524 ( 5.565 0.000 -1.547) 5.776 12.971 ( -10.163 0.000 -1.961) 10.350 13.401 ( 10.051 0.000 -1.661) 10.188 14.450 ( -2.454 0.000 -3.962) 4.660 14.721 ( 1.549 0.000 -3.382) 3.720 14.973 ( 2.685 0.000 -14.421) 14.669 ======================= Grid point 102 (34/300) ======================= q-point: ( 0.30 0.00 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 54.078 0.000 0.456) 54.080 3.767 ( 53.902 0.000 5.846) 54.218 5.465 ( 63.987 0.000 26.131) 69.117 6.542 ( -4.602 0.000 15.564) 16.230 7.385 ( -12.460 0.000 8.991) 15.365 7.581 ( -26.609 0.000 -1.392) 26.645 7.771 ( -8.447 0.000 13.303) 15.758 8.124 ( 10.453 0.000 4.502) 11.381 9.057 ( 7.608 0.000 16.341) 18.025 9.419 ( -14.804 0.000 2.781) 15.063 9.570 ( -16.536 0.000 1.446) 16.600 9.808 ( -15.006 0.000 30.262) 33.778 12.627 ( 4.155 0.000 -1.772) 4.517 12.791 ( -6.762 0.000 -1.173) 6.863 13.621 ( 11.093 0.000 -2.240) 11.317 14.355 ( -6.306 0.000 -3.997) 7.466 14.778 ( 3.432 0.000 -3.611) 4.982 14.987 ( -0.725 0.000 -10.108) 10.134 ======================= Grid point 103 (35/300) ======================= q-point: ( 0.40 0.00 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( 47.176 0.000 2.450) 47.240 4.819 ( 49.133 0.000 2.136) 49.180 6.227 ( -25.810 0.000 11.826) 28.390 6.365 ( 2.977 0.000 6.356) 7.019 7.218 ( 12.069 0.000 6.640) 13.775 7.297 ( 2.918 0.000 10.238) 10.645 7.648 ( -3.608 0.000 16.864) 17.245 8.305 ( 5.045 0.000 5.235) 7.270 9.107 ( -15.082 0.000 0.836) 15.105 9.110 ( -22.132 0.000 4.289) 22.544 9.226 ( 4.829 0.000 16.810) 17.490 9.561 ( -9.967 0.000 24.843) 26.768 12.685 ( 1.581 0.000 -1.792) 2.390 12.707 ( -1.729 0.000 -1.083) 2.040 13.840 ( 10.352 0.000 -2.755) 10.712 14.209 ( -7.841 0.000 -3.615) 8.634 14.846 ( 3.210 0.000 -4.482) 5.513 14.956 ( -2.078 0.000 -7.606) 7.885 ======================= Grid point 104 (36/300) ======================= q-point: (-0.50 0.00 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.499 ( -27.572 0.000 1.723) 27.626 5.499 ( 27.572 0.000 1.723) 27.626 5.815 ( -31.025 0.000 5.915) 31.584 5.815 ( 31.025 0.000 5.915) 31.584 7.408 ( -5.519 0.000 9.133) 10.672 7.408 ( 5.519 0.000 9.133) 10.672 8.043 ( -33.329 0.000 13.146) 35.828 8.043 ( 33.329 0.000 13.146) 35.828 8.867 ( -5.215 0.000 1.440) 5.410 8.867 ( 5.215 0.000 1.440) 5.410 9.380 ( -8.236 0.000 20.685) 22.264 9.380 ( 8.236 0.000 20.685) 22.264 12.697 ( -0.048 0.000 -1.486) 1.487 12.697 ( 0.048 0.000 -1.486) 1.487 14.038 ( -9.050 0.000 -3.197) 9.599 14.038 ( 9.050 0.000 -3.197) 9.599 14.907 ( -2.722 0.000 -5.793) 6.400 14.907 ( 2.722 0.000 -5.793) 6.400 ======================= Grid point 110 (37/300) ======================= q-point: ( 0.00 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.000 31.246 52.071) 60.727 1.764 ( 0.000 45.676 41.596) 61.779 2.216 ( 0.000 74.740 35.236) 82.630 6.235 ( 0.000 -15.825 16.451) 22.827 7.557 ( 0.000 -11.665 2.111) 11.854 7.856 ( 0.000 -0.889 10.466) 10.503 8.201 ( 0.000 -0.615 11.986) 12.002 8.631 ( 0.000 -0.146 -0.827) 0.840 8.768 ( 0.000 9.555 13.987) 16.939 9.685 ( 0.000 -14.581 4.008) 15.122 10.007 ( 0.000 -8.336 2.293) 8.645 11.371 ( 0.000 -69.441 69.056) 97.932 12.467 ( 0.000 7.997 -0.651) 8.023 12.864 ( 0.000 2.237 -2.367) 3.257 13.277 ( 0.000 9.736 -0.152) 9.737 14.413 ( 0.000 -1.378 -2.576) 2.921 14.468 ( 0.000 4.958 -11.405) 12.436 14.714 ( 0.000 -2.444 -4.606) 5.214 ======================= Grid point 111 (38/300) ======================= q-point: ( 0.10 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 24.079 32.602 28.126) 49.333 2.162 ( 34.967 40.993 28.122) 60.778 3.078 ( 61.160 47.223 39.337) 86.706 6.276 ( 3.864 -15.221 16.465) 22.753 7.603 ( 4.372 -12.567 3.019) 13.644 7.833 ( -2.451 -1.502 10.934) 11.306 8.084 ( -10.100 1.826 11.822) 15.656 8.540 ( -10.159 -0.403 -3.522) 10.760 8.824 ( 5.212 7.740 15.216) 17.849 9.648 ( -4.399 -16.156 2.585) 16.942 9.927 ( -7.057 -5.703 9.110) 12.858 10.743 ( -35.247 -20.260 53.802) 67.435 12.477 ( 1.626 5.813 -1.252) 6.165 13.037 ( 3.969 -5.603 -2.863) 7.439 13.337 ( 4.684 9.225 -0.941) 10.388 14.432 ( 2.019 -1.615 -2.923) 3.902 14.608 ( 3.588 -7.149 -8.657) 11.786 14.770 ( 7.973 -3.751 -8.931) 12.546 ======================= Grid point 112 (39/300) ======================= q-point: ( 0.20 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 50.742 14.814 4.792) 53.076 3.023 ( 46.906 26.971 18.582) 57.209 4.403 ( 66.596 33.290 31.199) 80.725 6.377 ( 5.395 -13.475 16.461) 21.947 7.645 ( -7.605 -7.936 4.742) 11.971 7.779 ( 1.276 -8.259 10.348) 13.301 7.870 ( -9.162 2.768 10.352) 14.099 8.229 ( -18.028 2.760 -2.188) 18.369 8.948 ( 6.570 4.729 15.637) 17.608 9.477 ( -12.004 -17.297 1.747) 21.127 9.774 ( -7.485 -2.646 18.294) 19.942 10.233 ( -17.848 0.354 25.058) 30.766 12.517 ( 1.991 0.349 -1.285) 2.395 12.998 ( -5.528 2.240 -2.371) 6.418 13.467 ( 8.193 6.448 -1.693) 10.562 14.426 ( -3.536 -2.712 -4.221) 6.138 14.647 ( 3.028 -5.715 -4.050) 7.632 14.913 ( 4.247 -5.798 -10.615) 12.819 ======================= Grid point 113 (40/300) ======================= q-point: ( 0.30 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 52.760 5.805 -1.217) 53.093 3.998 ( 47.961 17.221 12.749) 52.530 5.708 ( 59.412 23.683 20.337) 67.114 6.440 ( -1.575 -9.850 15.981) 18.839 7.374 ( -14.127 -2.632 5.340) 15.331 7.542 ( -23.161 -3.779 4.136) 23.829 7.763 ( -5.742 -0.488 13.435) 14.619 8.094 ( 6.540 -1.686 3.120) 7.440 9.078 ( 5.084 1.083 15.159) 16.026 9.198 ( -13.858 -14.705 3.261) 20.468 9.609 ( -9.359 0.226 15.615) 18.206 9.892 ( -17.480 5.863 15.416) 24.033 12.555 ( 1.969 -3.871 -1.139) 4.490 12.880 ( -5.265 5.931 -1.865) 8.147 13.653 ( 9.563 3.030 -2.267) 10.284 14.313 ( -6.785 -4.445 -4.144) 9.108 14.726 ( 4.184 -3.966 -3.713) 6.857 14.951 ( -0.046 -4.054 -8.787) 9.677 ======================= Grid point 114 (41/300) ======================= q-point: ( 0.40 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.654 ( 47.443 2.246 -0.473) 47.498 4.946 ( 44.851 10.268 8.516) 46.792 6.187 ( -22.568 -3.221 11.042) 25.330 6.460 ( -8.504 7.267 5.064) 12.279 7.244 ( 18.285 2.018 6.301) 19.445 7.299 ( 2.241 0.958 9.837) 10.135 7.651 ( -2.243 0.363 17.296) 17.445 8.267 ( 6.517 -2.653 4.871) 8.557 8.869 ( -13.457 -13.218 1.963) 18.965 9.230 ( 6.671 1.379 18.110) 19.349 9.316 ( -21.557 8.823 3.350) 23.532 9.563 ( -11.839 0.448 22.895) 25.778 12.610 ( 3.606 -3.386 -1.165) 5.082 12.786 ( -4.306 4.043 -1.704) 6.147 13.842 ( 8.905 -0.082 -2.738) 9.317 14.167 ( -7.389 -4.455 -3.618) 9.356 14.806 ( 3.627 -3.334 -4.381) 6.593 14.927 ( -2.080 -3.174 -7.019) 7.979 ======================= Grid point 115 (42/300) ======================= q-point: (-0.50 0.11 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.515 ( -32.682 1.796 1.984) 32.791 5.515 ( 32.682 1.796 1.984) 32.791 5.850 ( -34.385 3.216 7.630) 35.368 5.850 ( 34.385 3.216 7.630) 35.368 7.394 ( -6.160 -1.338 8.753) 10.786 7.394 ( 6.160 -1.338 8.753) 10.786 8.070 ( -28.343 1.528 11.088) 30.473 8.070 ( 28.343 1.528 11.088) 30.473 8.870 ( -15.960 1.466 2.235) 16.182 8.870 ( 15.960 1.466 2.235) 16.182 9.378 ( -7.708 -0.078 20.581) 21.978 9.378 ( 7.708 -0.078 20.581) 21.978 12.696 ( -4.545 0.033 -1.472) 4.777 12.696 ( 4.545 0.033 -1.472) 4.777 14.013 ( -7.897 -2.810 -3.153) 8.956 14.013 ( 7.897 -2.810 -3.153) 8.956 14.874 ( -3.015 -3.061 -5.511) 6.988 14.874 ( 3.015 -3.061 -5.511) 6.988 ======================= Grid point 121 (43/300) ======================= q-point: ( 0.00 0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.000 32.562 47.713) 57.765 2.783 ( 0.000 53.477 24.984) 59.026 3.875 ( 0.000 83.555 13.465) 84.633 5.799 ( 0.000 -27.028 16.814) 31.832 7.190 ( 0.000 -24.093 3.918) 24.410 7.854 ( 0.000 0.901 11.788) 11.823 8.172 ( 0.000 -2.218 13.088) 13.275 8.631 ( 0.000 0.032 -1.316) 1.316 8.987 ( 0.000 11.263 15.434) 19.106 9.435 ( 0.000 -9.746 -1.743) 9.901 9.754 ( 0.000 -16.831 3.082) 17.111 10.531 ( 0.000 -26.816 43.102) 50.763 12.670 ( 0.000 11.364 -1.683) 11.488 12.928 ( 0.000 4.078 -2.568) 4.819 13.534 ( 0.000 15.075 -0.608) 15.087 14.360 ( 0.000 -4.078 -2.591) 4.831 14.452 ( 0.000 -3.905 -6.884) 7.915 14.654 ( 0.000 -3.402 -5.018) 6.062 ======================= Grid point 122 (44/300) ======================= q-point: ( 0.10 0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 18.313 36.331 29.491) 50.249 3.000 ( 21.572 45.081 26.751) 56.686 4.330 ( 39.663 70.656 16.113) 82.613 5.858 ( 5.552 -25.905 16.801) 31.372 7.227 ( 3.411 -24.169 4.075) 24.746 7.826 ( -2.932 0.794 12.016) 12.394 8.095 ( -7.212 -0.753 12.506) 14.456 8.539 ( -9.118 0.343 -1.682) 9.278 9.009 ( 2.092 9.714 15.303) 18.246 9.357 ( -7.542 -12.121 -1.235) 14.330 9.743 ( -1.302 -12.370 8.906) 15.298 10.366 ( -12.117 -17.883 34.264) 40.505 12.636 ( -2.717 9.566 -1.603) 10.072 13.002 ( 4.382 1.130 -2.900) 5.375 13.579 ( 3.281 14.313 -1.222) 14.735 14.379 ( 1.737 -3.852 -2.970) 5.165 14.481 ( 1.302 -5.914 -6.659) 9.001 14.671 ( 2.675 -5.717 -5.277) 8.227 ======================= Grid point 123 (45/300) ======================= q-point: ( 0.20 0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.030 ( 37.420 29.861 8.577) 48.636 3.603 ( 35.651 31.516 24.313) 53.435 5.296 ( 52.100 52.267 15.938) 75.500 6.009 ( 8.688 -22.696 16.785) 29.535 7.291 ( 0.770 -24.194 3.060) 24.399 7.727 ( -6.949 0.908 13.717) 15.403 7.912 ( -9.539 0.944 10.663) 14.338 8.285 ( -13.992 3.209 -0.735) 14.374 9.054 ( 0.086 1.420 11.326) 11.414 9.161 ( -8.980 -9.367 5.411) 14.059 9.689 ( -4.152 -5.828 18.062) 19.428 10.155 ( -8.574 -8.588 16.332) 20.347 12.572 ( -3.201 5.413 -1.299) 6.421 13.042 ( -0.706 1.941 -2.822) 3.497 13.644 ( 3.431 10.758 -1.963) 11.461 14.333 ( -6.357 -6.264 -5.050) 10.254 14.551 ( 5.476 -3.699 -3.371) 7.418 14.755 ( 4.392 -9.575 -6.728) 12.499 ======================= Grid point 124 (46/300) ======================= q-point: ( 0.30 0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 44.444 18.845 0.454) 48.277 4.381 ( 39.659 21.041 19.382) 48.900 6.164 ( 5.296 -16.174 16.282) 23.552 6.343 ( 46.828 36.066 10.751) 60.077 7.153 ( -13.909 -19.612 0.450) 24.048 7.518 ( -13.598 2.047 13.772) 19.462 7.760 ( -5.936 -0.130 12.633) 13.958 8.117 ( 1.260 4.917 1.435) 5.275 8.848 ( -14.317 -16.065 1.447) 21.567 9.170 ( 4.172 4.465 17.479) 18.516 9.583 ( -5.957 -2.396 19.742) 20.760 9.957 ( -12.749 -0.612 7.615) 14.863 12.530 ( -0.284 1.816 -0.951) 2.069 12.982 ( -4.801 4.041 -2.365) 6.706 13.726 ( 4.405 3.721 -2.527) 6.296 14.177 ( -8.102 -8.684 -4.364) 12.653 14.659 ( 4.729 -2.568 -3.158) 6.239 14.822 ( 1.974 -8.385 -6.760) 10.950 ======================= Grid point 125 (47/300) ======================= q-point: ( 0.40 0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 42.739 10.282 -0.280) 43.960 5.179 ( 38.193 12.734 14.862) 42.916 6.098 ( -14.211 -5.989 13.521) 20.510 6.558 ( -26.008 0.253 1.519) 26.054 7.288 ( 7.136 3.198 5.348) 9.474 7.342 ( 13.860 2.179 7.227) 15.782 7.658 ( 1.953 -0.157 17.030) 17.142 8.286 ( 6.246 6.387 4.719) 10.103 8.598 ( -2.871 -12.564 2.007) 13.044 9.265 ( 5.104 2.199 18.688) 19.497 9.439 ( -10.341 2.425 12.912) 16.719 9.607 ( -19.679 4.211 11.790) 23.324 12.576 ( 4.811 0.423 -1.021) 4.936 12.860 ( -7.027 3.474 -1.936) 8.075 13.815 ( 4.351 -3.421 -2.878) 6.238 14.024 ( -6.688 -9.772 -3.543) 12.360 14.742 ( 3.565 -2.654 -3.771) 5.829 14.835 ( -0.564 -5.387 -5.816) 7.947 ======================= Grid point 126 (48/300) ======================= q-point: (-0.50 0.22 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.574 ( -33.483 4.142 3.907) 33.964 5.574 ( 33.483 4.142 3.907) 33.964 5.926 ( -33.410 3.979 10.134) 35.140 5.926 ( 33.410 3.979 10.134) 35.140 7.360 ( -6.511 -1.856 8.125) 10.576 7.360 ( 6.511 -1.856 8.125) 10.576 8.044 ( -21.407 -4.943 6.410) 22.886 8.044 ( 21.407 -4.943 6.410) 22.886 8.982 ( -28.574 10.276 3.764) 30.598 8.982 ( 28.574 10.276 3.764) 30.598 9.379 ( -6.310 0.158 20.443) 21.396 9.379 ( 6.310 0.158 20.443) 21.396 12.708 ( -7.502 1.469 -1.475) 7.785 12.708 ( 7.502 1.469 -1.475) 7.785 13.907 ( -4.926 -8.219 -3.098) 10.071 13.907 ( 4.926 -8.219 -3.098) 10.071 14.804 ( -2.397 -3.379 -4.708) 6.272 14.804 ( 2.397 -3.379 -4.708) 6.272 ======================= Grid point 132 (49/300) ======================= q-point: ( 0.00 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 0.000 36.815 36.121) 51.576 3.833 ( 0.000 51.084 16.628) 53.722 5.189 ( 0.000 -33.529 18.782) 38.431 5.392 ( 0.000 61.933 8.674) 62.538 6.688 ( 0.000 -20.027 6.314) 20.999 7.889 ( 0.000 2.328 11.899) 12.124 8.117 ( 0.000 -3.176 13.707) 14.070 8.596 ( 0.000 -6.632 1.981) 6.922 9.124 ( 0.000 -3.489 6.261) 7.167 9.271 ( 0.000 -7.490 -7.140) 10.348 9.437 ( 0.000 -6.351 12.069) 13.638 10.099 ( 0.000 -18.018 32.299) 36.985 12.888 ( 0.000 9.895 -2.417) 10.186 13.016 ( 0.000 4.321 -2.831) 5.166 13.839 ( 0.000 14.624 -0.795) 14.645 14.259 ( 0.000 -5.494 -2.478) 6.027 14.362 ( 0.000 -4.201 -6.171) 7.465 14.575 ( 0.000 -4.778 -5.409) 7.217 ======================= Grid point 133 (50/300) ======================= q-point: ( 0.10 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 17.809 35.758 28.931) 49.323 3.939 ( 11.087 47.718 17.151) 51.904 5.274 ( 8.082 -32.037 18.453) 37.845 5.645 ( 22.949 51.461 9.055) 57.069 6.742 ( 5.212 -16.363 6.102) 18.225 7.859 ( -2.880 2.379 12.095) 12.659 8.060 ( -5.530 -2.531 12.975) 14.329 8.526 ( -6.674 -3.989 1.613) 7.940 9.063 ( -6.640 -8.588 -1.106) 10.912 9.247 ( -1.133 2.958 8.409) 8.986 9.476 ( 3.311 -11.091 7.744) 13.926 10.022 ( -6.354 -16.275 29.025) 33.878 12.834 ( -4.663 9.679 -2.231) 10.973 13.045 ( 1.838 2.351 -2.957) 4.201 13.877 ( 2.052 14.788 -1.580) 15.013 14.288 ( 2.035 -4.617 -3.243) 5.997 14.361 ( 0.429 -6.073 -5.764) 8.384 14.552 ( -1.368 -6.339 -4.650) 7.980 ======================= Grid point 134 (51/300) ======================= q-point: ( 0.20 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 29.859 31.909 15.223) 46.277 4.294 ( 23.323 37.589 18.365) 47.897 5.499 ( 13.392 -27.945 17.752) 35.713 6.211 ( 29.252 20.253 8.323) 36.539 6.886 ( 8.454 0.804 4.663) 9.688 7.771 ( -5.901 3.219 14.033) 15.560 7.905 ( -9.003 -1.553 10.834) 14.172 8.352 ( -8.955 2.074 1.656) 9.340 8.860 ( -12.591 -9.808 -2.037) 16.090 9.244 ( 0.627 6.859 16.563) 17.938 9.537 ( 1.623 -9.658 11.119) 14.817 9.903 ( -4.306 -15.435 18.482) 24.462 12.722 ( -5.695 9.082 -1.819) 10.873 13.065 ( -0.111 0.073 -2.889) 2.892 13.869 ( -2.946 11.042 -2.845) 11.777 14.208 ( -8.713 -5.612 -5.550) 11.757 14.474 ( 8.454 -4.691 -3.046) 10.137 14.562 ( 2.631 -8.696 -4.155) 9.990 ======================= Grid point 135 (52/300) ======================= q-point: ( 0.30 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.329 ( 35.210 24.772 6.036) 43.473 4.845 ( 29.602 25.750 18.033) 43.180 5.779 ( 12.868 -21.408 17.254) 30.358 6.627 ( 5.030 -27.118 4.880) 28.009 7.099 ( 14.570 31.152 0.167) 34.391 7.593 ( -11.821 5.315 14.674) 19.578 7.745 ( -6.541 -1.215 12.743) 14.376 8.287 ( 6.639 8.417 2.676) 11.049 8.577 ( -14.549 -6.817 0.049) 16.067 9.268 ( 1.757 5.086 18.161) 18.941 9.519 ( -2.996 -4.121 18.062) 18.767 9.836 ( -4.027 -11.769 7.268) 14.407 12.631 ( -2.580 8.009 -1.360) 8.524 13.032 ( -3.265 0.642 -2.499) 4.161 13.776 ( -5.508 0.885 -3.519) 6.595 14.000 ( -10.684 -8.302 -4.258) 14.185 14.615 ( 4.924 -2.284 -2.573) 6.006 14.657 ( 5.852 -6.786 -4.731) 10.133 ======================= Grid point 136 (53/300) ======================= q-point: ( 0.40 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.047 ( 34.347 15.843 3.696) 38.004 5.452 ( 29.076 14.731 15.615) 36.142 5.938 ( -0.222 -10.149 16.842) 19.665 6.433 ( -18.943 -12.161 1.109) 22.538 7.353 ( -4.774 1.849 11.631) 12.708 7.401 ( 3.219 4.831 0.296) 5.813 7.642 ( 2.023 -0.253 11.637) 11.815 8.237 ( -16.059 -13.255 1.371) 20.868 8.690 ( 26.370 21.781 4.878) 34.548 9.314 ( 2.746 2.622 19.229) 19.601 9.442 ( -4.208 -1.086 18.774) 19.270 9.664 ( -13.892 -0.437 4.872) 14.728 12.641 ( 3.727 6.178 -1.219) 7.318 12.928 ( -6.949 3.251 -2.029) 7.936 13.682 ( -2.807 -9.675 -3.389) 10.628 13.803 ( -8.155 -11.625 -3.177) 14.551 14.702 ( 3.664 -1.480 -3.240) 5.110 14.744 ( 2.395 -3.159 -4.221) 5.791 ======================= Grid point 137 (54/300) ======================= q-point: (-0.50 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.672 ( -24.992 5.310 8.759) 27.009 5.672 ( 24.992 5.310 8.759) 27.009 5.992 ( -23.684 2.311 9.161) 25.499 5.992 ( 23.684 2.311 9.161) 25.499 7.330 ( -4.495 -0.909 8.673) 9.810 7.330 ( 4.495 -0.909 8.673) 9.810 7.898 ( -16.640 -8.345 2.671) 18.806 7.898 ( 16.640 -8.345 2.671) 18.806 9.236 ( -23.759 13.217 3.830) 27.457 9.236 ( 23.759 13.217 3.830) 27.457 9.385 ( -5.002 0.472 20.146) 20.763 9.385 ( 5.002 0.472 20.146) 20.763 12.768 ( -7.998 4.781 -1.555) 9.447 12.768 ( 7.998 4.781 -1.555) 9.447 13.685 ( -3.182 -13.509 -2.978) 14.194 13.685 ( 3.182 -13.509 -2.978) 14.194 14.754 ( -1.251 -1.488 -3.757) 4.230 14.754 ( 1.251 -1.488 -3.757) 4.230 ======================= Grid point 143 (55/300) ======================= q-point: ( 0.00 0.44 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( 0.000 38.079 27.715) 47.097 4.470 ( 0.000 -35.159 21.116) 41.013 4.810 ( 0.000 43.488 13.269) 45.467 5.605 ( 0.000 -31.556 9.327) 32.906 7.111 ( 0.000 52.694 5.526) 52.983 7.911 ( 0.000 -5.921 7.364) 9.449 8.052 ( 0.000 -3.025 14.430) 14.744 8.169 ( 0.000 -31.228 11.467) 33.267 9.023 ( 0.000 1.330 -6.176) 6.318 9.124 ( 0.000 -7.039 -7.889) 10.573 9.549 ( 0.000 10.578 22.579) 24.935 9.788 ( 0.000 -13.510 26.991) 30.184 13.041 ( 0.000 4.958 -2.884) 5.736 13.078 ( 0.000 1.143 -2.997) 3.207 14.070 ( 0.000 7.285 -0.461) 7.299 14.161 ( 0.000 -4.026 -1.778) 4.401 14.336 ( 0.000 2.981 -6.850) 7.470 14.456 ( 0.000 -7.031 -5.976) 9.227 ======================= Grid point 144 (56/300) ======================= q-point: ( 0.10 0.44 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( 14.786 36.215 24.939) 46.391 4.590 ( 11.397 -33.430 20.229) 40.702 4.871 ( 6.253 42.361 13.008) 44.753 5.665 ( 5.762 -33.490 9.117) 35.184 7.243 ( 11.984 49.232 4.854) 50.902 7.893 ( -1.993 -2.689 8.211) 8.867 8.003 ( -4.510 -2.374 14.024) 14.922 8.202 ( 2.383 -27.875 10.445) 29.863 8.972 ( -4.886 2.935 -5.855) 8.171 9.122 ( 0.432 -10.448 -6.159) 12.136 9.516 ( -2.864 9.488 22.407) 24.501 9.735 ( -4.709 -12.490 26.282) 29.478 12.997 ( -3.832 6.193 -2.731) 7.778 13.067 ( -1.232 -0.782 -2.942) 3.284 14.131 ( 3.608 8.939 -1.377) 9.738 14.217 ( 5.505 -2.724 -2.331) 6.569 14.279 ( -5.219 0.506 -6.710) 8.516 14.408 ( -3.585 -8.252 -4.811) 10.202 ======================= Grid point 145 (57/300) ======================= q-point: ( 0.20 0.44 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.289 ( 24.528 31.558 18.643) 44.104 4.908 ( 19.058 -29.107 18.151) 39.241 5.074 ( 13.635 37.822 12.650) 42.148 5.827 ( 9.663 -35.279 8.504) 37.553 7.510 ( 10.412 34.504 1.264) 36.063 7.828 ( -4.684 -2.651 8.633) 10.173 7.886 ( -5.501 6.107 16.039) 18.022 8.221 ( -1.200 -17.314 7.315) 18.834 8.851 ( -5.499 10.573 -3.656) 12.465 9.176 ( 5.369 -17.487 -1.576) 18.361 9.456 ( -2.596 6.191 21.326) 22.358 9.627 ( -5.189 -10.874 23.896) 26.762 12.904 ( -4.847 8.359 -2.373) 9.950 13.030 ( -2.170 -3.962 -2.712) 5.269 14.049 ( -10.667 6.177 -4.837) 13.241 14.124 ( -10.957 -2.893 -5.788) 12.725 14.387 ( 9.860 -1.888 -2.587) 10.367 14.430 ( 6.163 -5.002 -1.958) 8.175 ======================= Grid point 146 (58/300) ======================= q-point: ( 0.30 0.44 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( 27.895 25.260 12.774) 39.741 5.324 ( 20.787 -23.594 16.347) 35.440 5.406 ( 18.216 29.833 12.216) 37.028 6.026 ( 8.759 -31.437 7.292) 33.439 7.536 ( -5.754 10.892 2.331) 12.537 7.657 ( -10.656 -2.754 8.769) 14.072 7.834 ( -3.754 14.603 11.260) 18.818 8.151 ( -6.258 -14.966 3.858) 16.675 8.860 ( 8.916 25.865 0.858) 27.372 9.309 ( 5.616 -10.120 6.975) 13.513 9.424 ( -0.346 -0.556 18.447) 18.458 9.546 ( -2.140 -12.194 18.322) 22.113 12.822 ( -2.753 10.111 -1.954) 10.660 12.987 ( -1.854 -5.568 -2.327) 6.313 13.784 ( -14.373 1.338 -4.503) 15.121 13.858 ( -14.186 -5.852 -4.357) 15.952 14.567 ( 7.386 -0.914 -2.793) 7.950 14.583 ( 7.679 -1.964 -2.568) 8.332 ======================= Grid point 147 (59/300) ======================= q-point: ( 0.40 0.44 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.380 ( 24.734 16.873 10.680) 31.788 5.694 ( 13.633 -14.141 16.504) 25.655 5.770 ( 16.118 17.022 10.540) 25.702 6.122 ( -0.587 -17.665 4.135) 18.152 7.395 ( -6.574 2.626 9.667) 11.982 7.443 ( -9.325 -1.314 8.446) 12.650 7.727 ( -3.795 9.227 2.724) 10.342 7.962 ( -11.082 -13.387 1.096) 17.413 9.159 ( 17.009 21.956 3.247) 27.962 9.363 ( 0.953 1.656 18.335) 18.435 9.413 ( -1.341 -1.343 19.212) 19.305 9.545 ( -0.140 -11.467 5.782) 12.843 12.811 ( 1.902 9.830 -1.660) 10.149 12.954 ( -1.884 -2.501 -1.940) 3.683 13.515 ( -10.465 -3.816 -3.423) 11.653 13.585 ( -11.774 -9.196 -3.141) 15.266 14.688 ( 4.396 0.190 -2.994) 5.322 14.704 ( 3.907 -1.280 -3.131) 5.168 ======================= Grid point 148 (60/300) ======================= q-point: (-0.50 0.44 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.762 ( -9.562 2.901 15.833) 18.722 5.762 ( 9.562 2.901 15.833) 18.722 6.015 ( -8.273 0.222 3.678) 9.057 6.015 ( 8.273 0.222 3.678) 9.057 7.325 ( -1.177 0.230 11.170) 11.234 7.325 ( 1.177 0.230 11.170) 11.234 7.761 ( -7.060 -4.218 -0.466) 8.237 7.761 ( 7.060 -4.218 -0.466) 8.237 9.382 ( -0.994 0.571 19.971) 20.004 9.382 ( 0.994 0.571 19.971) 20.004 9.451 ( -9.662 5.528 3.272) 11.603 9.451 ( 9.662 5.528 3.272) 11.603 12.887 ( -4.589 5.681 -1.697) 7.498 12.887 ( 4.589 5.681 -1.697) 7.498 13.426 ( -2.485 -9.829 -2.726) 10.498 13.426 ( 2.485 -9.829 -2.726) 10.498 14.739 ( -0.467 -0.264 -3.192) 3.237 14.739 ( 0.467 -0.264 -3.192) 3.237 ======================= Grid point 198 (61/300) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 0.000 41.118) 41.118 2.396 ( 0.000 0.000 58.215) 58.215 3.166 ( 0.000 0.000 76.819) 76.819 6.851 ( 0.000 0.000 28.478) 28.478 7.789 ( 0.000 0.000 8.515) 8.515 8.111 ( 0.000 0.000 14.054) 14.054 8.516 ( 0.000 0.000 19.230) 19.230 8.592 ( 0.000 0.000 -3.643) 3.643 9.059 ( 0.000 0.000 26.116) 26.116 9.891 ( 0.000 0.000 1.502) 1.502 10.157 ( 0.000 0.000 4.898) 4.898 12.333 ( 0.000 0.000 -2.477) 2.477 12.776 ( 0.000 0.000 -4.315) 4.315 13.092 ( 0.000 0.000 -3.613) 3.613 13.154 ( 0.000 0.000 -6.255) 6.255 14.092 ( 0.000 0.000 2.838) 2.838 14.348 ( 0.000 0.000 -5.311) 5.311 14.619 ( 0.000 0.000 -7.698) 7.698 ======================= Grid point 199 (62/300) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 35.466 0.000 31.607) 47.506 2.273 ( 5.226 0.000 50.177) 50.448 3.880 ( 52.569 0.000 65.827) 84.242 6.885 ( 3.172 0.000 28.375) 28.552 7.843 ( 4.829 0.000 7.937) 9.291 8.106 ( -0.899 0.000 13.789) 13.818 8.365 ( -12.791 0.000 19.083) 22.974 8.474 ( -11.131 0.000 -2.896) 11.501 9.151 ( 7.435 0.000 25.815) 26.864 9.882 ( -1.135 0.000 1.775) 2.107 10.065 ( -8.745 0.000 5.400) 10.278 11.974 ( -51.107 0.000 28.504) 58.519 12.386 ( 3.366 0.000 -1.806) 3.819 13.081 ( -6.653 0.000 -5.418) 8.580 13.188 ( 6.285 0.000 -3.270) 7.085 14.358 ( 0.446 0.000 -6.238) 6.254 14.415 ( 17.175 0.000 -14.305) 22.352 14.612 ( -0.284 0.000 -7.034) 7.040 ======================= Grid point 200 (63/300) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 39.053 0.000 23.528) 45.593 2.949 ( 47.205 0.000 19.102) 50.923 5.020 ( 57.017 0.000 52.809) 77.715 6.964 ( 3.831 0.000 28.040) 28.300 7.886 ( -7.896 0.000 8.709) 11.755 8.002 ( -13.972 0.000 3.538) 14.413 8.134 ( -2.001 0.000 15.429) 15.558 8.216 ( -9.327 0.000 9.973) 13.655 9.318 ( 8.631 0.000 26.104) 27.494 9.823 ( -9.842 0.000 4.375) 10.771 9.823 ( -10.055 0.000 4.454) 10.997 11.082 ( -34.802 0.000 41.677) 54.297 12.481 ( 5.147 0.000 -2.815) 5.867 12.915 ( -8.771 0.000 -3.605) 9.483 13.350 ( 9.371 0.000 -3.624) 10.048 14.335 ( -3.087 0.000 -7.631) 8.231 14.626 ( 1.856 0.000 -6.103) 6.379 14.646 ( 6.652 0.000 -17.044) 18.296 ======================= Grid point 201 (64/300) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.698 ( 50.206 0.000 7.805) 50.809 3.930 ( 48.253 0.000 10.454) 49.372 6.110 ( 46.913 0.000 36.959) 59.723 6.956 ( -8.913 0.000 25.195) 26.725 7.564 ( -23.626 0.000 0.197) 23.627 7.604 ( -11.002 0.000 12.135) 16.380 8.114 ( -3.314 0.000 20.449) 20.716 8.266 ( 9.758 0.000 10.082) 14.031 9.498 ( 9.155 0.000 27.280) 28.776 9.502 ( -16.607 0.000 5.985) 17.652 9.627 ( -14.383 0.000 5.116) 15.266 10.526 ( -21.308 0.000 39.198) 44.615 12.576 ( 3.937 0.000 -3.301) 5.138 12.758 ( -6.085 0.000 -2.125) 6.446 13.555 ( 10.373 0.000 -4.470) 11.295 14.240 ( -5.895 0.000 -7.559) 9.586 14.675 ( 2.575 0.000 -6.658) 7.139 14.730 ( 2.232 0.000 -15.024) 15.189 ======================= Grid point 202 (65/300) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.714 ( 48.219 0.000 3.350) 48.335 4.879 ( 44.234 0.000 3.896) 44.406 6.508 ( -17.536 0.000 6.980) 18.874 6.518 ( -31.018 0.000 16.146) 34.969 7.446 ( 18.671 0.000 16.954) 25.219 7.564 ( 4.107 0.000 16.241) 16.752 8.089 ( 3.910 0.000 26.603) 26.888 8.466 ( 8.842 0.000 11.150) 14.230 9.170 ( -15.404 0.000 5.549) 16.373 9.235 ( -23.076 0.000 9.259) 24.864 9.692 ( 10.009 0.000 29.102) 30.775 10.170 ( -14.555 0.000 35.133) 38.029 12.635 ( 1.807 0.000 -3.292) 3.756 12.677 ( -2.074 0.000 -1.928) 2.832 13.761 ( 9.714 0.000 -5.321) 11.076 14.105 ( -7.269 0.000 -6.879) 10.008 14.721 ( 1.819 0.000 -8.067) 8.269 14.753 ( 0.332 0.000 -12.446) 12.450 ======================= Grid point 203 (66/300) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.503 ( -10.192 0.000 -1.329) 10.278 5.503 ( 10.192 0.000 -1.329) 10.278 5.995 ( -7.298 0.000 11.302) 13.453 5.995 ( 7.298 0.000 11.302) 13.453 7.649 ( -1.537 0.000 15.127) 15.205 7.649 ( 1.537 0.000 15.127) 15.205 8.422 ( -20.273 0.000 24.613) 31.887 8.422 ( 20.273 0.000 24.613) 31.887 8.935 ( -3.186 0.000 5.562) 6.410 8.935 ( 3.186 0.000 5.562) 6.410 9.909 ( -11.480 0.000 31.742) 33.754 9.909 ( 11.480 0.000 31.742) 33.754 12.656 ( -0.569 0.000 -2.662) 2.722 12.656 ( 0.569 0.000 -2.662) 2.722 13.946 ( -8.465 0.000 -6.114) 10.443 13.946 ( 8.465 0.000 -6.114) 10.443 14.748 ( -0.811 0.000 -10.026) 10.058 14.748 ( 0.811 0.000 -10.026) 10.058 ======================= Grid point 209 (67/300) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 0.000 55.090 30.113) 62.783 2.701 ( 0.000 28.444 50.762) 58.188 3.373 ( 0.000 23.971 70.089) 74.074 6.680 ( 0.000 -16.265 27.753) 32.168 7.668 ( 0.000 -12.001 8.429) 14.666 8.126 ( 0.000 1.331 15.847) 15.903 8.519 ( 0.000 0.198 19.543) 19.544 8.593 ( 0.000 0.478 -2.304) 2.353 9.166 ( 0.000 9.601 25.113) 26.886 9.738 ( 0.000 -13.720 2.429) 13.933 10.081 ( 0.000 -7.595 5.465) 9.357 12.214 ( 0.000 -41.850 18.124) 45.605 12.482 ( 0.000 -4.843 4.587) 6.671 12.797 ( 0.000 2.040 -4.443) 4.889 13.264 ( 0.000 9.328 -1.512) 9.450 14.268 ( 0.000 6.383 -7.690) 9.995 14.335 ( 0.000 -1.476 -5.419) 5.616 14.588 ( 0.000 -2.839 -7.915) 8.408 ======================= Grid point 210 (68/300) ======================= q-point: ( 0.10 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 0.474 29.211 43.984) 52.802 2.701 ( 25.600 43.085 28.863) 57.834 4.092 ( 51.650 22.683 59.171) 81.752 6.721 ( 3.861 -15.605 27.728) 32.051 7.714 ( 4.055 -12.622 8.026) 15.498 8.108 ( -2.070 0.372 15.403) 15.546 8.393 ( -10.973 2.106 18.830) 21.896 8.487 ( -10.134 1.367 -1.494) 10.334 9.233 ( 5.762 7.586 25.419) 27.146 9.695 ( -4.627 -15.389 2.888) 16.327 10.046 ( -3.184 -3.959 5.774) 7.691 11.672 ( -38.551 -26.436 35.267) 58.556 12.444 ( 1.087 5.594 -1.940) 6.020 12.956 ( 3.845 -5.589 -5.260) 8.584 13.304 ( 3.492 9.263 -2.648) 10.247 14.343 ( 0.174 -1.722 -6.417) 6.646 14.389 ( 8.083 -2.462 -11.016) 13.883 14.605 ( 2.314 -1.650 -8.215) 8.693 ======================= Grid point 211 (69/300) ======================= q-point: ( 0.20 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 33.437 15.774 24.086) 44.125 3.393 ( 39.775 33.989 19.324) 55.773 5.203 ( 55.194 18.802 47.441) 75.170 6.821 ( 5.278 -13.635 27.642) 31.270 7.751 ( -5.422 -12.630 6.061) 15.021 8.046 ( -2.709 0.386 9.539) 9.923 8.106 ( -16.319 1.693 14.927) 22.180 8.263 ( -8.303 3.078 9.349) 12.877 9.368 ( 6.947 4.207 25.820) 27.067 9.536 ( -10.632 -16.246 4.649) 19.965 9.959 ( -5.724 2.459 6.126) 8.737 10.968 ( -29.032 -10.268 39.951) 50.442 12.481 ( 2.059 0.762 -2.338) 3.207 12.931 ( -4.547 1.390 -4.356) 6.449 13.415 ( 7.404 6.314 -3.658) 10.396 14.302 ( -4.100 -3.704 -8.329) 9.995 14.524 ( 5.283 -4.930 -8.595) 11.229 14.678 ( 3.754 -1.351 -11.610) 12.277 ======================= Grid point 212 (70/300) ======================= q-point: ( 0.30 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( 47.101 6.495 8.870) 48.367 4.250 ( 43.368 24.697 12.728) 51.504 6.244 ( 43.074 13.396 32.007) 55.311 6.868 ( -3.749 -8.506 26.375) 27.965 7.467 ( -16.490 -8.122 4.677) 18.967 7.683 ( -18.111 5.566 8.654) 20.830 8.108 ( -1.437 -0.785 20.499) 20.565 8.217 ( 7.201 -3.532 9.818) 12.677 9.256 ( -14.828 -16.273 6.285) 22.895 9.535 ( 7.846 3.296 26.506) 27.839 9.781 ( -12.595 7.392 6.949) 16.173 10.482 ( -19.500 -4.014 37.338) 42.314 12.522 ( 2.140 -3.083 -2.179) 4.340 12.828 ( -4.864 4.920 -3.369) 7.695 13.586 ( 8.892 2.898 -4.536) 10.394 14.195 ( -6.091 -4.769 -7.776) 10.968 14.616 ( 3.881 -3.543 -7.652) 9.282 14.731 ( 1.419 -1.766 -12.380) 12.586 ======================= Grid point 213 (71/300) ======================= q-point: ( 0.40 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.678 ( 47.111 1.613 2.870) 47.226 5.117 ( 40.731 17.869 7.974) 45.188 6.410 ( -26.529 -3.470 9.480) 28.385 6.656 ( -21.941 6.712 14.865) 27.339 7.452 ( 16.705 -1.109 14.837) 22.370 7.543 ( 3.830 -0.300 14.421) 14.924 8.090 ( 4.629 -0.321 25.626) 26.042 8.431 ( 10.884 -1.980 12.321) 16.559 8.949 ( -13.682 -13.587 6.538) 20.361 9.420 ( -21.894 9.946 7.795) 25.279 9.712 ( 8.929 1.921 29.617) 30.993 10.150 ( -13.631 -1.797 34.681) 37.307 12.577 ( 3.346 -2.930 -2.196) 4.960 12.739 ( -4.109 3.552 -3.043) 6.226 13.763 ( 8.342 -0.083 -5.288) 9.878 14.064 ( -6.684 -4.397 -6.810) 10.507 14.682 ( 2.572 -2.776 -8.237) 9.065 14.741 ( -0.313 -1.970 -11.192) 11.368 ======================= Grid point 214 (72/300) ======================= q-point: (-0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.532 ( -28.337 3.123 -0.302) 28.511 5.532 ( 28.337 3.123 -0.302) 28.511 6.070 ( -23.869 6.856 13.374) 28.206 6.070 ( 23.869 6.856 13.374) 28.206 7.615 ( -3.286 -3.226 13.445) 14.211 7.615 ( 3.286 -3.226 13.445) 14.211 8.395 ( -17.484 -3.518 21.193) 27.698 8.395 ( 17.484 -3.518 21.193) 27.698 8.965 ( -18.400 3.950 7.806) 20.374 8.965 ( 18.400 3.950 7.806) 20.374 9.909 ( -10.540 -0.000 31.910) 33.606 9.909 ( 10.540 -0.000 31.910) 33.606 12.655 ( -4.128 0.047 -2.655) 4.908 12.655 ( 4.128 0.047 -2.655) 4.908 13.922 ( -7.326 -2.681 -5.990) 9.836 13.922 ( 7.326 -2.681 -5.990) 9.836 14.722 ( -1.465 -2.304 -9.561) 9.944 14.722 ( 1.465 -2.304 -9.561) 9.944 ======================= Grid point 220 (73/300) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 0.000 30.246 45.887) 54.958 3.422 ( 0.000 41.492 38.074) 56.314 4.326 ( 0.000 67.145 34.561) 75.518 6.250 ( 0.000 -25.790 27.858) 37.963 7.324 ( 0.000 -21.780 9.620) 23.810 8.157 ( 0.000 1.679 17.518) 17.599 8.515 ( 0.000 -0.848 20.847) 20.864 8.620 ( 0.000 2.209 0.492) 2.263 9.373 ( 0.000 8.396 22.297) 23.826 9.437 ( 0.000 -14.539 1.504) 14.617 9.866 ( 0.000 -12.420 9.182) 15.446 11.351 ( 0.000 -35.544 36.066) 50.638 12.624 ( 0.000 10.063 -2.911) 10.475 12.855 ( 0.000 3.720 -4.813) 6.083 13.510 ( 0.000 14.471 -2.093) 14.621 14.278 ( 0.000 -4.317 -5.896) 7.307 14.291 ( 0.000 -2.697 -8.537) 8.953 14.520 ( 0.000 -3.720 -8.134) 8.944 ======================= Grid point 221 (74/300) ======================= q-point: ( 0.10 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -2.207 35.669 39.912) 53.574 3.602 ( 17.932 42.085 30.551) 55.010 4.845 ( 41.437 51.798 36.742) 75.829 6.307 ( 5.469 -24.862 27.756) 37.662 7.360 ( 3.019 -22.142 9.305) 24.206 8.125 ( -3.179 1.244 16.473) 16.823 8.422 ( -8.625 0.433 19.912) 21.704 8.531 ( -8.389 3.040 1.565) 9.059 9.332 ( -5.131 -11.059 8.360) 14.782 9.447 ( 2.045 3.615 17.472) 17.958 9.890 ( 2.054 -10.600 8.851) 13.961 11.124 ( -18.708 -25.638 37.134) 48.849 12.591 ( -2.488 8.718 -2.828) 9.496 12.920 ( 4.011 1.032 -5.360) 6.774 13.539 ( 2.112 13.692 -3.088) 14.194 14.272 ( -1.872 -5.187 -8.704) 10.304 14.332 ( 4.565 -3.542 -6.996) 9.074 14.538 ( 1.948 -4.634 -7.804) 9.283 ======================= Grid point 222 (75/300) ======================= q-point: ( 0.20 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 22.422 32.078 23.421) 45.611 4.103 ( 30.066 34.854 24.577) 52.181 5.775 ( 47.057 37.332 32.324) 68.212 6.458 ( 8.734 -22.028 27.635) 36.403 7.394 ( -2.225 -22.194 7.231) 23.448 8.049 ( -2.540 1.287 15.381) 15.643 8.175 ( -15.588 3.222 15.244) 22.040 8.326 ( -10.019 3.613 7.125) 12.814 9.168 ( -10.502 -16.901 5.148) 20.554 9.517 ( 4.527 7.140 24.492) 25.910 9.922 ( 0.251 -5.723 9.074) 10.730 10.726 ( -18.777 -13.266 35.883) 42.617 12.536 ( -2.667 4.955 -2.325) 6.089 12.962 ( -0.195 1.572 -5.210) 5.446 13.584 ( 2.614 9.947 -4.258) 11.131 14.189 ( -5.877 -6.955 -9.306) 13.019 14.454 ( 6.448 -2.706 -6.475) 9.530 14.592 ( 2.995 -6.502 -8.985) 11.488 ======================= Grid point 223 (76/300) ======================= q-point: ( 0.30 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.994 ( 38.057 21.575 10.496) 44.989 4.777 ( 35.234 26.591 19.497) 48.256 6.567 ( 11.422 -0.307 22.087) 24.868 6.691 ( 25.397 9.172 25.254) 36.972 7.211 ( -10.973 -18.041 5.692) 21.870 7.806 ( -18.289 6.303 13.442) 23.556 8.096 ( -0.070 -0.459 20.196) 20.201 8.192 ( 4.029 2.900 7.120) 8.680 8.920 ( -13.526 -16.598 6.636) 22.417 9.621 ( 5.482 4.900 26.077) 27.094 9.866 ( -6.510 0.956 10.202) 12.140 10.381 ( -15.293 -6.071 33.360) 37.197 12.503 ( -0.022 1.633 -1.739) 2.386 12.915 ( -4.163 3.557 -4.389) 7.017 13.651 ( 3.814 2.873 -5.129) 7.008 14.055 ( -6.823 -8.608 -7.826) 13.487 14.567 ( 4.422 -1.481 -6.212) 7.768 14.648 ( 2.279 -6.056 -10.204) 12.083 ======================= Grid point 224 (77/300) ======================= q-point: ( 0.40 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.821 ( 41.760 12.435 4.314) 43.785 5.498 ( 34.504 19.196 15.838) 42.542 6.372 ( -25.910 -0.693 10.631) 28.015 6.716 ( -16.422 -2.872 17.394) 24.093 7.400 ( 11.408 -1.425 7.660) 13.815 7.573 ( -0.105 1.998 12.942) 13.096 8.033 ( 1.964 -5.912 19.028) 20.022 8.483 ( 9.575 6.903 17.020) 20.713 8.674 ( -1.070 -11.519 6.013) 13.037 9.594 ( -17.273 6.936 7.643) 20.122 9.768 ( 5.381 3.582 30.388) 31.068 10.107 ( -11.384 -2.443 33.559) 35.522 12.548 ( 4.361 0.405 -1.876) 4.765 12.805 ( -6.428 3.205 -3.582) 8.026 13.732 ( 4.106 -3.924 -5.554) 7.944 13.925 ( -5.829 -9.326 -6.406) 12.728 14.637 ( 2.559 -1.592 -6.867) 7.499 14.679 ( 0.678 -3.598 -9.668) 10.338 ======================= Grid point 225 (78/300) ======================= q-point: (-0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.635 ( -35.927 7.268 2.270) 36.725 5.635 ( 35.927 7.268 2.270) 36.725 6.228 ( -28.151 7.780 18.846) 34.759 6.228 ( 28.151 7.780 18.846) 34.759 7.537 ( -6.046 -4.027 9.143) 11.678 7.537 ( 6.046 -4.027 9.143) 11.678 8.259 ( -15.851 -9.887 15.297) 24.145 8.259 ( 15.851 -9.887 15.297) 24.145 9.117 ( -27.151 10.992 10.410) 31.087 9.117 ( 27.151 10.992 10.410) 31.087 9.912 ( -8.172 0.353 32.338) 33.356 9.912 ( 8.172 0.353 32.338) 33.356 12.666 ( -6.801 1.405 -2.698) 7.451 12.666 ( 6.801 1.405 -2.698) 7.451 13.819 ( -4.621 -8.072 -5.746) 10.933 13.819 ( 4.621 -8.072 -5.746) 10.933 14.674 ( -1.104 -2.067 -8.238) 8.565 14.674 ( 1.104 -2.067 -8.238) 8.565 ======================= Grid point 231 (79/300) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 0.000 28.503 46.257) 54.333 4.281 ( 0.000 43.419 27.945) 51.635 5.659 ( 0.000 57.207 19.048) 60.295 5.687 ( 0.000 -29.935 30.455) 42.704 6.873 ( 0.000 -17.693 12.421) 21.617 8.187 ( 0.000 0.932 16.829) 16.855 8.482 ( 0.000 -2.284 22.489) 22.605 8.667 ( 0.000 1.374 5.459) 5.630 9.191 ( 0.000 -10.145 -1.624) 10.274 9.244 ( 0.000 -21.882 6.884) 22.939 9.823 ( 0.000 9.555 25.713) 27.431 10.779 ( 0.000 -23.307 34.557) 41.683 12.821 ( 0.000 9.003 -4.388) 10.016 12.936 ( 0.000 3.987 -5.281) 6.617 13.809 ( 0.000 14.822 -2.705) 15.067 14.176 ( 0.000 -5.342 -6.480) 8.398 14.205 ( 0.000 -4.973 -8.881) 10.178 14.436 ( 0.000 -5.024 -7.977) 9.428 ======================= Grid point 232 (80/300) ======================= q-point: ( 0.10 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( 3.914 33.724 38.005) 50.961 4.401 ( 12.156 39.627 28.328) 50.205 5.762 ( 7.260 -29.100 29.816) 42.291 5.925 ( 23.302 44.847 19.895) 54.315 6.922 ( 4.533 -14.100 12.086) 19.116 8.151 ( -3.274 0.912 15.617) 15.982 8.408 ( -7.085 -1.648 21.515) 22.712 8.598 ( -6.491 2.824 5.981) 9.267 9.057 ( -7.989 -13.283 1.639) 15.587 9.390 ( 8.605 -16.011 6.116) 19.179 9.820 ( -0.065 7.635 25.613) 26.727 10.674 ( -9.291 -19.779 34.655) 40.970 12.771 ( -4.217 8.790 -4.056) 10.559 12.961 ( 1.696 2.305 -5.469) 6.173 13.822 ( 0.110 14.098 -4.331) 14.749 14.163 ( -2.740 -5.102 -9.609) 11.219 14.237 ( 4.560 -5.675 -6.235) 9.585 14.435 ( 0.382 -5.668 -6.576) 8.690 ======================= Grid point 233 (81/300) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.048 ( 16.642 35.945 23.673) 46.146 4.763 ( 22.638 32.142 27.114) 47.757 5.966 ( 12.240 -26.739 28.219) 40.757 6.467 ( 26.417 12.873 18.115) 34.521 7.030 ( 4.929 2.309 9.915) 11.311 8.088 ( -1.494 1.276 14.993) 15.121 8.208 ( -12.236 0.876 20.165) 23.603 8.426 ( -9.349 6.215 5.796) 12.634 8.872 ( -10.358 -11.998 4.280) 16.418 9.556 ( 7.194 -9.532 10.679) 16.021 9.832 ( 1.281 2.550 24.041) 24.209 10.455 ( -11.257 -13.588 33.774) 38.106 12.671 ( -5.024 8.195 -3.286) 10.158 12.983 ( 0.236 0.197 -5.346) 5.355 13.780 ( -4.218 8.776 -6.417) 11.662 14.055 ( -7.460 -5.875 -9.575) 13.486 14.380 ( 8.333 -4.970 -6.418) 11.633 14.467 ( 2.772 -5.018 -5.066) 7.650 ======================= Grid point 234 (82/300) ======================= q-point: ( 0.30 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.516 ( 28.352 29.632 12.724) 42.939 5.284 ( 27.652 24.378 24.607) 44.322 6.230 ( 12.705 -21.917 26.945) 36.984 6.771 ( -3.686 -24.871 9.643) 26.929 7.165 ( 13.185 24.654 7.177) 28.864 7.918 ( -15.473 3.837 17.273) 23.506 8.055 ( -7.444 -2.319 15.276) 17.151 8.383 ( 11.327 12.187 7.628) 18.303 8.641 ( -11.378 -7.496 8.608) 16.116 9.672 ( 4.115 -3.473 15.037) 15.972 9.853 ( 0.002 0.739 22.550) 22.562 10.239 ( -9.907 -8.068 31.977) 34.435 12.593 ( -2.076 7.165 -2.449) 7.852 12.961 ( -2.631 0.708 -4.679) 5.414 13.672 ( -5.636 -0.949 -7.032) 9.062 13.884 ( -8.834 -8.038 -7.326) 14.011 14.530 ( 5.155 -4.592 -7.365) 10.094 14.544 ( 5.111 -1.181 -4.971) 7.228 ======================= Grid point 235 (83/300) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.152 ( 33.017 20.117 6.944) 39.282 5.850 ( 26.928 15.782 23.018) 38.781 6.354 ( -12.621 -2.539 19.885) 23.688 6.508 ( -7.750 -16.231 10.774) 20.966 7.434 ( 7.460 3.802 4.193) 9.364 7.631 ( -10.193 4.763 13.948) 17.920 7.884 ( -3.779 -8.076 11.019) 14.175 8.332 ( -14.382 -14.171 9.677) 22.390 8.856 ( 25.813 20.408 12.757) 35.292 9.673 ( -7.268 0.397 8.048) 10.851 9.845 ( 1.509 3.873 30.827) 31.106 10.053 ( -8.012 -3.018 32.597) 33.702 12.606 ( 3.541 5.658 -2.225) 7.036 12.870 ( -6.291 3.218 -3.827) 8.036 13.586 ( -2.041 -10.053 -6.205) 11.988 13.715 ( -7.313 -11.211 -5.601) 14.510 14.609 ( 3.108 -1.186 -6.261) 7.090 14.632 ( 2.667 -0.941 -6.854) 7.414 ======================= Grid point 236 (84/300) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.815 ( -31.141 10.482 5.601) 33.332 5.815 ( 31.141 10.482 5.601) 33.332 6.330 ( -17.119 1.427 23.856) 29.397 6.330 ( 17.119 1.427 23.856) 29.397 7.490 ( -4.725 0.362 5.853) 7.531 7.490 ( 4.725 0.362 5.853) 7.531 8.030 ( -14.067 -12.306 11.560) 21.976 8.030 ( 14.067 -12.306 11.560) 21.976 9.360 ( -21.754 12.049 9.290) 26.547 9.360 ( 21.754 12.049 9.290) 26.547 9.921 ( -5.174 0.475 32.853) 33.261 9.921 ( 5.174 0.475 32.853) 33.261 12.724 ( -7.323 4.585 -2.885) 9.109 12.724 ( 7.323 4.585 -2.885) 9.109 13.602 ( -3.488 -13.112 -5.298) 14.566 13.602 ( 3.488 -13.112 -5.298) 14.566 14.650 ( -0.741 -0.400 -6.695) 6.748 14.650 ( 0.741 -0.400 -6.695) 6.748 ======================= Grid point 242 (85/300) ======================= q-point: ( 0.00 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.414 ( 0.000 30.650 39.724) 50.174 4.975 ( 0.000 -8.642 26.984) 28.334 5.219 ( 0.000 17.447 29.059) 33.894 5.872 ( 0.000 -28.093 17.700) 33.204 7.282 ( 0.000 49.587 11.957) 51.008 8.090 ( 0.000 -20.017 10.739) 22.716 8.436 ( 0.000 -1.727 23.550) 23.613 8.511 ( 0.000 -14.563 22.553) 26.846 8.932 ( 0.000 -0.873 -3.487) 3.594 9.021 ( 0.000 -7.061 -3.107) 7.715 10.073 ( 0.000 14.157 29.822) 33.012 10.382 ( 0.000 -17.207 32.165) 36.478 12.960 ( 0.000 4.531 -5.266) 6.947 12.993 ( 0.000 1.093 -5.526) 5.633 14.058 ( 0.000 6.619 -0.683) 6.654 14.094 ( 0.000 -2.349 -6.021) 6.463 14.145 ( 0.000 2.780 -12.250) 12.562 14.307 ( 0.000 -8.149 -8.059) 11.461 ======================= Grid point 243 (86/300) ======================= q-point: ( 0.10 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.500 ( 8.333 31.970 35.614) 48.578 5.070 ( 9.185 -6.470 25.598) 27.954 5.277 ( 6.055 14.045 28.928) 32.722 5.928 ( 5.399 -30.195 17.587) 35.358 7.397 ( 10.012 45.162 10.909) 47.527 8.071 ( -2.025 -15.377 9.865) 18.381 8.385 ( -4.172 1.014 23.478) 23.868 8.521 ( -0.344 -12.165 21.039) 24.305 8.892 ( -3.682 1.360 -2.227) 4.513 9.052 ( 3.646 -13.338 -1.425) 13.900 10.043 ( -2.650 12.966 30.246) 33.015 10.325 ( -5.171 -15.546 32.476) 36.375 12.920 ( -3.450 5.683 -5.000) 8.319 12.984 ( -1.048 -0.645 -5.410) 5.549 14.062 ( -3.398 6.624 -7.709) 10.717 14.095 ( -3.887 -1.127 -11.216) 11.924 14.152 ( 6.498 0.864 -3.278) 7.329 14.301 ( 0.833 -8.059 -5.072) 9.558 ======================= Grid point 244 (87/300) ======================= q-point: ( 0.20 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( 15.785 33.610 25.874) 45.258 5.336 ( 16.400 -5.380 23.117) 28.850 5.473 ( 13.103 8.237 27.774) 31.795 6.080 ( 9.084 -31.511 17.431) 37.139 7.586 ( 5.467 30.735 6.338) 31.854 8.000 ( -5.255 -11.317 8.410) 15.047 8.292 ( -4.766 7.704 23.732) 25.403 8.462 ( -5.381 -6.357 16.312) 18.315 8.817 ( -1.773 10.895 1.005) 11.084 9.193 ( 10.001 -22.439 3.486) 24.813 9.984 ( -2.794 9.876 31.089) 32.739 10.199 ( -6.539 -11.814 32.880) 35.545 12.837 ( -4.278 7.704 -4.354) 9.829 12.953 ( -1.735 -3.601 -5.007) 6.407 13.903 ( -10.686 3.673 -9.989) 15.082 13.966 ( -9.439 -3.359 -10.047) 14.189 14.320 ( 9.018 0.452 -3.874) 9.826 14.379 ( 6.179 -4.212 -3.164) 8.120 ======================= Grid point 245 (88/300) ======================= q-point: ( 0.30 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.131 ( 21.570 31.201 16.381) 41.317 5.708 ( 19.246 -13.882 20.651) 31.457 5.788 ( 17.080 10.139 25.485) 32.312 6.262 ( 7.323 -25.450 17.385) 31.680 7.580 ( -3.919 16.772 2.551) 17.412 7.844 ( -9.620 -9.774 8.051) 15.903 8.127 ( -12.459 7.928 16.744) 22.326 8.311 ( -10.074 -10.190 13.064) 19.390 8.935 ( 13.906 25.650 7.806) 30.203 9.417 ( 10.796 -20.323 6.479) 23.907 9.939 ( -1.551 6.239 31.767) 32.411 10.078 ( -5.249 -7.632 32.930) 34.208 12.766 ( -2.208 9.350 -3.593) 10.258 12.921 ( -1.293 -5.187 -4.352) 6.893 13.656 ( -12.857 1.097 -8.227) 15.303 13.738 ( -12.247 -6.432 -7.715) 15.839 14.489 ( 7.153 0.249 -4.946) 8.700 14.514 ( 6.406 -1.699 -4.362) 7.934 ======================= Grid point 246 (89/300) ======================= q-point: ( 0.40 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.596 ( 23.171 23.719 10.448) 34.766 6.067 ( 14.443 -21.842 16.391) 30.892 6.124 ( 14.235 10.401 24.633) 30.292 6.303 ( -4.573 -6.710 17.621) 19.402 7.530 ( -0.093 6.076 3.843) 7.190 7.668 ( -5.284 -6.215 11.026) 13.716 7.836 ( -14.013 8.163 8.131) 18.141 8.060 ( -13.828 -12.820 10.555) 21.609 9.276 ( 16.851 19.718 9.112) 27.492 9.582 ( 4.212 -10.094 7.165) 13.075 9.917 ( -0.583 3.469 32.460) 32.650 9.986 ( -3.758 -3.513 33.004) 33.402 12.763 ( 2.085 9.179 -3.085) 9.906 12.898 ( -1.461 -2.264 -3.709) 4.584 13.421 ( -8.909 -3.397 -5.901) 11.213 13.498 ( -10.477 -9.385 -5.474) 15.094 14.604 ( 4.040 0.528 -5.506) 6.849 14.618 ( 3.465 -0.707 -5.485) 6.527 ======================= Grid point 247 (90/300) ======================= q-point: (-0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.028 ( -17.801 9.601 7.427) 21.546 6.028 ( 17.801 9.601 7.427) 21.546 6.275 ( -0.803 -5.758 24.987) 25.654 6.275 ( 0.803 -5.758 24.987) 25.654 7.567 ( -5.710 6.575 10.032) 13.285 7.567 ( 5.710 6.575 10.032) 13.285 7.794 ( -10.555 -10.518 6.068) 16.089 7.794 ( 10.555 -10.518 6.068) 16.089 9.545 ( -8.263 5.301 7.504) 12.356 9.545 ( 8.263 5.301 7.504) 12.356 9.928 ( -1.828 0.143 33.270) 33.321 9.928 ( 1.828 0.143 33.270) 33.321 12.838 ( -4.303 5.463 -3.240) 7.672 12.838 ( 4.303 5.463 -3.240) 7.672 13.352 ( -2.675 -9.459 -4.599) 10.853 13.352 ( 2.675 -9.459 -4.599) 10.853 14.650 ( -0.391 0.120 -5.783) 5.797 14.650 ( 0.391 0.120 -5.783) 5.797 ======================= Grid point 297 (91/300) ======================= q-point: ( 0.00 0.00 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.000 0.000 38.288) 38.288 3.491 ( 0.000 0.000 52.897) 52.897 4.614 ( 0.000 0.000 70.307) 70.307 7.475 ( 0.000 0.000 34.130) 34.130 7.986 ( 0.000 0.000 11.305) 11.305 8.341 ( 0.000 0.000 5.197) 5.197 8.560 ( 0.000 0.000 3.840) 3.840 8.918 ( 0.000 0.000 20.629) 20.629 9.621 ( 0.000 0.000 29.956) 29.956 9.936 ( 0.000 0.000 3.355) 3.355 10.287 ( 0.000 0.000 8.449) 8.449 12.275 ( 0.000 0.000 -3.369) 3.369 12.676 ( 0.000 0.000 -5.832) 5.832 13.009 ( 0.000 0.000 -8.342) 8.342 13.015 ( 0.000 0.000 -4.135) 4.135 14.143 ( 0.000 0.000 2.188) 2.188 14.211 ( 0.000 0.000 -8.810) 8.810 14.455 ( 0.000 0.000 -8.462) 8.462 ======================= Grid point 298 (92/300) ======================= q-point: ( 0.10 0.00 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 24.356 0.000 32.909) 40.942 3.272 ( -9.901 0.000 50.059) 51.029 5.155 ( 41.981 0.000 63.125) 75.810 7.505 ( 2.806 0.000 33.770) 33.886 8.028 ( 3.602 0.000 10.702) 11.292 8.272 ( -8.401 0.000 -0.241) 8.404 8.521 ( -2.017 0.000 10.214) 10.411 8.756 ( -14.142 0.000 19.485) 24.076 9.701 ( 6.556 0.000 28.338) 29.087 9.946 ( 0.800 0.000 5.877) 5.932 10.203 ( -7.996 0.000 8.917) 11.978 12.258 ( -11.283 0.000 1.571) 11.392 12.396 ( -12.008 0.000 4.457) 12.808 12.956 ( -4.871 0.000 -7.180) 8.676 13.102 ( 6.425 0.000 -5.335) 8.351 14.202 ( -1.136 0.000 -9.706) 9.772 14.229 ( 6.466 0.000 -5.549) 8.520 14.461 ( 0.764 0.000 -7.950) 7.986 ======================= Grid point 299 (93/300) ======================= q-point: ( 0.20 0.00 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 17.177 0.000 33.129) 37.317 3.365 ( 37.036 0.000 22.608) 43.391 6.064 ( 44.304 0.000 51.945) 68.272 7.574 ( 3.073 0.000 33.063) 33.206 7.983 ( -18.562 0.000 -2.176) 18.689 8.051 ( -6.196 0.000 8.161) 10.246 8.468 ( -8.341 0.000 16.993) 18.930 8.510 ( 0.334 0.000 16.118) 16.122 9.829 ( 3.871 0.000 17.858) 18.273 9.967 ( 2.348 0.000 19.371) 19.513 9.978 ( -13.650 0.000 10.090) 16.974 11.745 ( -27.208 0.000 25.543) 37.319 12.418 ( 4.189 0.000 -3.412) 5.403 12.833 ( -6.619 0.000 -4.673) 8.102 13.258 ( 8.718 0.000 -5.777) 10.458 14.155 ( -3.540 0.000 -10.617) 11.192 14.350 ( 4.998 0.000 -12.565) 13.523 14.488 ( 1.745 0.000 -7.773) 7.966 ======================= Grid point 300 (94/300) ======================= q-point: ( 0.30 0.00 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.921 ( 38.151 0.000 14.383) 40.772 4.164 ( 40.395 0.000 13.017) 42.441 6.794 ( 18.908 0.000 28.289) 34.026 7.450 ( -22.998 0.000 21.646) 31.583 7.646 ( -6.850 0.000 11.283) 13.199 7.851 ( -1.666 0.000 14.826) 14.919 8.513 ( 8.555 0.000 14.567) 16.894 8.524 ( 1.569 0.000 20.195) 20.256 9.669 ( -16.268 0.000 11.389) 19.859 9.771 ( -8.892 0.000 10.655) 13.878 10.099 ( 9.372 0.000 31.873) 33.222 11.248 ( -21.380 0.000 32.877) 39.217 12.500 ( 3.610 0.000 -4.312) 5.624 12.710 ( -5.041 0.000 -2.669) 5.704 13.446 ( 9.505 0.000 -6.554) 11.546 14.063 ( -5.306 0.000 -10.336) 11.619 14.434 ( 3.412 0.000 -14.356) 14.756 14.523 ( 1.395 0.000 -8.737) 8.847 ======================= Grid point 301 (95/300) ======================= q-point: ( 0.40 0.00 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( 43.636 0.000 3.208) 43.754 4.965 ( 37.014 0.000 4.582) 37.296 6.615 ( -25.259 0.000 3.896) 25.558 6.795 ( -36.680 0.000 10.805) 38.238 7.862 ( 14.888 0.000 24.021) 28.261 7.919 ( 4.808 0.000 19.772) 20.348 8.639 ( 12.371 0.000 28.171) 30.768 8.728 ( 12.000 0.000 14.976) 19.191 9.335 ( -16.101 0.000 11.869) 20.002 9.492 ( -18.106 0.000 17.050) 24.871 10.314 ( 11.546 0.000 32.886) 34.854 10.868 ( -16.392 0.000 34.425) 38.128 12.560 ( 2.263 0.000 -4.186) 4.759 12.634 ( -2.526 0.000 -2.323) 3.432 13.634 ( 8.829 0.000 -7.498) 11.583 13.943 ( -6.436 0.000 -9.502) 11.476 14.492 ( 2.339 0.000 -13.625) 13.825 14.539 ( 0.153 0.000 -10.247) 10.248 ======================= Grid point 302 (96/300) ======================= q-point: (-0.50 0.00 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.453 ( -5.702 0.000 -3.596) 6.741 5.453 ( 5.702 0.000 -3.596) 6.741 6.214 ( -3.370 0.000 10.254) 10.794 6.214 ( 3.370 0.000 10.254) 10.794 7.988 ( -0.703 0.000 18.836) 18.849 7.988 ( 0.703 0.000 18.836) 18.849 8.956 ( -0.644 0.000 26.750) 26.758 8.956 ( 0.644 0.000 26.750) 26.758 9.101 ( -9.282 0.000 13.452) 16.344 9.101 ( 9.282 0.000 13.452) 16.344 10.567 ( -13.454 0.000 33.895) 36.468 10.567 ( 13.454 0.000 33.895) 36.468 12.596 ( -1.531 0.000 -3.239) 3.583 12.596 ( 1.531 0.000 -3.239) 3.583 13.801 ( -7.590 0.000 -8.508) 11.402 13.801 ( 7.590 0.000 -8.508) 11.402 14.528 ( -1.196 0.000 -11.990) 12.049 14.528 ( 1.196 0.000 -11.990) 12.049 ======================= Grid point 308 (97/300) ======================= q-point: ( 0.00 0.11 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 0.000 46.579 30.453) 55.650 3.692 ( 0.000 19.413 49.272) 52.959 4.742 ( 0.000 13.723 67.876) 69.249 7.279 ( 0.000 -17.757 32.005) 36.601 7.870 ( 0.000 -11.334 11.789) 16.354 8.384 ( 0.000 2.924 5.681) 6.389 8.605 ( 0.000 4.433 7.691) 8.878 8.928 ( 0.000 0.898 20.883) 20.902 9.702 ( 0.000 7.123 28.134) 29.022 9.798 ( 0.000 -12.766 4.113) 13.412 10.232 ( 0.000 -5.145 10.167) 11.395 12.297 ( 0.000 -2.408 -2.071) 3.176 12.611 ( 0.000 -21.579 4.115) 21.968 12.693 ( 0.000 1.745 -6.001) 6.250 13.203 ( 0.000 9.874 -4.809) 10.983 14.176 ( 0.000 1.255 -2.168) 2.505 14.193 ( 0.000 -2.078 -9.277) 9.507 14.423 ( 0.000 -2.850 -8.321) 8.796 ======================= Grid point 309 (98/300) ======================= q-point: ( 0.10 0.11 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 16.446 41.482 28.728) 53.071 3.470 ( -8.223 19.065 46.229) 50.678 5.283 ( 41.465 13.343 60.383) 74.455 7.318 ( 3.690 -17.019 31.787) 36.244 7.905 ( 2.740 -11.828 11.082) 16.438 8.304 ( -8.211 2.355 1.667) 8.704 8.572 ( -2.377 4.429 12.377) 13.358 8.782 ( -13.044 2.395 19.477) 23.563 9.761 ( 2.240 -0.034 17.346) 17.490 9.784 ( 0.788 -8.710 16.009) 18.242 10.200 ( -2.840 -1.534 10.691) 11.168 12.128 ( -20.892 -15.208 12.277) 28.609 12.415 ( -2.420 3.605 -0.311) 4.353 12.836 ( 3.525 -5.667 -6.775) 9.510 13.228 ( 2.647 9.444 -5.127) 11.067 14.168 ( -1.740 -3.343 -10.067) 10.749 14.234 ( 4.201 -0.187 -5.946) 7.282 14.442 ( 1.714 -2.067 -8.220) 8.648 ======================= Grid point 310 (99/300) ======================= q-point: ( 0.20 0.11 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 15.173 15.616 32.129) 38.811 3.789 ( 31.162 32.758 21.053) 49.874 6.172 ( 42.812 11.017 49.248) 66.179 7.414 ( 5.055 -14.656 31.420) 35.037 7.869 ( -10.904 -10.717 5.414) 16.220 8.113 ( -8.520 4.425 3.160) 10.107 8.463 ( -10.876 0.750 17.807) 20.879 8.548 ( -3.065 2.601 16.044) 16.540 9.664 ( -8.373 -16.030 9.360) 20.364 9.897 ( 5.653 2.988 23.814) 24.658 10.137 ( -2.720 5.609 15.287) 16.509 11.638 ( -24.127 -10.008 27.211) 37.719 12.429 ( 1.843 1.379 -2.865) 3.675 12.831 ( -3.003 0.100 -5.653) 6.402 13.322 ( 6.528 6.104 -5.794) 10.651 14.108 ( -3.944 -4.660 -11.018) 12.596 14.330 ( 4.722 -1.202 -9.987) 11.112 14.482 ( 1.921 -1.417 -8.939) 9.252 ======================= Grid point 311 (100/300) ======================= q-point: ( 0.30 0.11 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 35.097 7.998 15.767) 39.298 4.497 ( 37.041 27.186 12.459) 47.606 6.840 ( 12.696 4.539 24.246) 27.742 7.417 ( -9.165 -3.292 27.500) 29.174 7.634 ( -3.453 -6.326 15.236) 16.855 7.833 ( -11.121 3.115 7.199) 13.610 8.465 ( 7.473 -3.872 14.813) 17.037 8.520 ( 1.457 -0.848 19.931) 20.002 9.441 ( -13.149 -14.887 13.110) 23.799 9.901 ( -7.344 5.607 10.921) 14.305 10.162 ( 6.492 5.789 31.079) 32.273 11.193 ( -19.341 -5.122 33.181) 38.746 12.471 ( 2.307 -1.786 -2.996) 4.182 12.752 ( -4.160 3.252 -4.192) 6.742 13.476 ( 8.091 2.651 -6.646) 10.801 14.015 ( -5.083 -4.856 -10.284) 12.457 14.416 ( 3.653 -1.019 -12.003) 12.588 14.513 ( 1.073 -1.523 -9.780) 9.956 ======================= Grid point 312 (101/300) ======================= q-point: ( 0.40 0.11 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.757 ( 41.576 2.939 4.837) 41.960 5.244 ( 34.390 21.984 4.905) 41.110 6.555 ( -27.370 -2.915 5.804) 28.130 6.946 ( -32.225 11.592 11.970) 36.278 7.790 ( 8.889 -9.178 18.444) 22.437 7.882 ( 7.800 -1.621 20.596) 22.083 8.568 ( 8.820 -7.038 20.998) 23.838 8.766 ( 18.088 4.232 21.442) 28.370 9.150 ( -14.874 -12.788 14.984) 24.683 9.637 ( -17.733 8.870 14.528) 24.581 10.342 ( 10.331 2.766 33.329) 35.003 10.847 ( -14.991 -1.931 34.678) 37.828 12.526 ( 3.115 -2.087 -2.961) 4.778 12.671 ( -3.812 2.571 -3.645) 5.867 13.637 ( 7.620 -0.067 -7.427) 10.640 13.905 ( -5.703 -4.030 -9.195) 11.546 14.477 ( 2.353 -0.978 -12.237) 12.499 14.524 ( -0.002 -1.604 -10.542) 10.664 ======================= Grid point 313 (102/300) ======================= q-point: (-0.50 0.11 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.508 ( -23.672 5.467 -2.112) 24.387 5.508 ( 23.672 5.467 -2.112) 24.387 6.321 ( -20.777 10.273 11.341) 25.803 6.321 ( 20.777 10.273 11.341) 25.803 7.916 ( -3.582 -6.975 16.949) 18.675 7.916 ( 3.582 -6.975 16.949) 18.675 8.831 ( -14.820 -9.721 20.897) 27.401 8.831 ( 14.820 -9.721 20.897) 27.401 9.213 ( -22.713 8.424 18.699) 30.602 9.213 ( 22.713 8.424 18.699) 30.602 10.572 ( -12.284 0.519 34.272) 36.411 10.572 ( 12.284 0.519 34.272) 36.411 12.595 ( -3.659 0.014 -3.273) 4.910 12.595 ( 3.659 0.014 -3.273) 4.910 13.781 ( -6.539 -2.341 -8.233) 10.771 13.781 ( 6.539 -2.341 -8.233) 10.771 14.512 ( -1.139 -1.322 -11.483) 11.614 14.512 ( 1.139 -1.322 -11.483) 11.614 ======================= Grid point 319 (103/300) ======================= q-point: ( 0.00 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.968 ( 0.000 43.851 28.233) 52.153 4.213 ( 0.000 31.388 41.274) 51.854 5.236 ( 0.000 38.098 54.600) 66.578 6.842 ( 0.000 -24.759 31.210) 39.838 7.555 ( 0.000 -19.491 13.497) 23.708 8.433 ( 0.000 2.165 6.859) 7.192 8.714 ( 0.000 5.824 11.909) 13.257 8.949 ( 0.000 1.056 22.023) 22.049 9.491 ( 0.000 -16.423 4.390) 16.999 9.777 ( 0.000 -5.660 17.578) 18.467 10.168 ( 0.000 3.656 21.958) 22.261 11.887 ( 0.000 -27.750 18.671) 33.446 12.562 ( 0.000 7.420 -3.256) 8.103 12.743 ( 0.000 3.194 -6.480) 7.225 13.439 ( 0.000 13.324 -5.386) 14.371 14.115 ( 0.000 -5.712 -10.897) 12.303 14.152 ( 0.000 -3.462 -4.976) 6.062 14.362 ( 0.000 -3.025 -7.417) 8.010 ======================= Grid point 320 (104/300) ======================= q-point: ( 0.10 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( -11.496 30.015 41.431) 52.437 4.136 ( 12.935 46.769 24.230) 54.238 5.719 ( 37.228 31.161 49.727) 69.496 6.895 ( 5.094 -24.183 30.823) 39.507 7.582 ( 1.962 -19.766 12.972) 23.723 8.353 ( -7.158 2.697 5.006) 9.142 8.667 ( -4.448 4.480 13.026) 14.475 8.835 ( -10.734 2.532 20.735) 23.485 9.448 ( -3.984 -16.834 7.255) 18.759 9.830 ( 4.465 -4.344 16.535) 17.670 10.188 ( 1.864 4.176 22.573) 23.032 11.723 ( -14.262 -22.320 23.206) 35.215 12.530 ( -2.282 7.163 -3.319) 8.218 12.797 ( 3.533 0.863 -7.031) 7.916 13.450 ( 0.923 12.374 -6.004) 13.784 14.070 ( -3.457 -6.173 -11.229) 13.272 14.204 ( 4.103 -3.169 -6.093) 8.000 14.384 ( 1.872 -3.383 -7.525) 8.460 ======================= Grid point 321 (105/300) ======================= q-point: ( 0.20 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( 7.751 29.914 30.395) 43.345 4.539 ( 25.031 39.432 19.916) 50.774 6.509 ( 36.899 22.388 40.196) 58.979 7.041 ( 9.055 -21.884 30.461) 38.584 7.563 ( -6.364 -19.161 9.745) 22.419 8.216 ( -4.203 6.215 5.258) 9.162 8.515 ( -13.112 3.789 16.323) 21.277 8.577 ( -9.758 -0.013 15.645) 18.438 9.333 ( -7.353 -15.747 12.460) 21.384 9.927 ( 4.268 -2.690 14.423) 15.280 10.236 ( 2.605 6.113 25.378) 26.234 11.390 ( -17.012 -13.774 29.812) 36.985 12.484 ( -1.962 4.314 -2.852) 5.532 12.843 ( 0.540 0.986 -6.822) 6.914 13.475 ( 1.695 8.343 -6.822) 10.910 13.984 ( -4.829 -7.171 -11.132) 14.095 14.304 ( 5.331 -1.986 -8.311) 10.071 14.425 ( 1.984 -3.625 -7.962) 8.970 ======================= Grid point 322 (106/300) ======================= q-point: ( 0.30 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 27.395 22.645 16.734) 39.284 5.115 ( 30.864 32.730 14.781) 47.353 6.958 ( -4.037 5.815 15.385) 16.935 7.250 ( 6.375 -16.713 27.194) 32.549 7.430 ( 6.945 -8.048 20.085) 22.725 8.000 ( -18.419 11.320 6.994) 22.722 8.397 ( -3.539 -4.063 12.534) 13.643 8.493 ( 10.438 0.263 18.991) 21.672 9.149 ( -10.642 -13.113 17.400) 24.248 9.960 ( -2.428 0.017 10.960) 11.226 10.299 ( 4.152 7.378 31.420) 32.540 11.065 ( -14.622 -7.277 33.700) 37.449 12.464 ( 0.307 1.496 -2.215) 2.690 12.814 ( -3.210 2.709 -5.769) 7.136 13.525 ( 3.245 1.435 -7.497) 8.294 13.881 ( -5.127 -7.929 -9.592) 13.460 14.403 ( 4.149 -0.742 -10.233) 11.067 14.461 ( 1.523 -2.870 -8.406) 9.012 ======================= Grid point 323 (107/300) ======================= q-point: ( 0.40 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.936 ( 36.375 14.555 6.971) 39.794 5.744 ( 27.881 26.817 8.527) 39.613 6.534 ( -25.819 0.656 7.647) 26.936 7.156 ( -21.568 4.990 22.728) 31.728 7.563 ( 5.831 -8.904 8.543) 13.648 7.835 ( -0.365 -3.353 14.781) 15.161 8.373 ( 5.634 -12.143 16.257) 21.059 8.842 ( 4.229 -7.697 11.464) 14.441 8.954 ( 6.712 4.876 28.758) 29.931 9.791 ( -14.188 6.080 12.987) 20.173 10.417 ( 7.371 4.553 34.343) 35.419 10.800 ( -11.553 -2.621 35.246) 37.183 12.505 ( 3.729 0.431 -2.398) 4.454 12.723 ( -5.468 2.656 -4.644) 7.650 13.601 ( 4.049 -4.515 -7.621) 9.740 13.780 ( -4.774 -8.260 -8.139) 12.541 14.467 ( 2.120 -0.198 -10.775) 10.984 14.486 ( 0.853 -1.413 -9.010) 9.160 ======================= Grid point 324 (108/300) ======================= q-point: (-0.50 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.669 ( -32.741 10.516 1.155) 34.408 5.669 ( 32.741 10.516 1.155) 34.408 6.586 ( -28.689 14.918 15.846) 36.010 6.586 ( 28.689 14.918 15.846) 36.010 7.731 ( -8.465 -10.707 11.428) 17.802 7.731 ( 8.465 -10.707 11.428) 17.802 8.601 ( -14.024 -13.067 18.389) 26.562 8.601 ( 14.024 -13.067 18.389) 26.562 9.406 ( -22.831 10.600 18.973) 31.521 9.406 ( 22.831 10.600 18.973) 31.521 10.589 ( -9.364 1.118 35.175) 36.417 10.589 ( 9.364 1.118 35.175) 36.417 12.605 ( -5.745 1.245 -3.425) 6.803 12.605 ( 5.745 1.245 -3.425) 6.803 13.687 ( -4.395 -7.543 -7.569) 11.554 13.687 ( 4.395 -7.543 -7.569) 11.554 14.492 ( -0.353 -0.388 -10.049) 10.063 14.492 ( 0.353 -0.388 -10.049) 10.063 ======================= Grid point 330 (109/300) ======================= q-point: ( 0.00 0.33 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( 0.000 28.187 36.843) 46.389 4.887 ( 0.000 34.930 32.779) 47.902 6.165 ( 0.000 44.928 32.688) 55.561 6.327 ( 0.000 -26.221 33.323) 42.403 7.164 ( 0.000 -14.008 16.860) 21.920 8.470 ( 0.000 0.894 10.200) 10.239 8.821 ( 0.000 4.643 10.520) 11.499 8.961 ( 0.000 -0.184 24.978) 24.979 9.190 ( 0.000 -13.014 1.572) 13.108 9.445 ( 0.000 -24.229 14.397) 28.184 10.379 ( 0.000 14.097 29.400) 32.605 11.387 ( 0.000 -22.103 26.248) 34.314 12.721 ( 0.000 7.618 -5.574) 9.439 12.813 ( 0.000 3.546 -7.050) 7.891 13.706 ( 0.000 12.563 -8.422) 15.125 13.987 ( 0.000 -6.344 -12.705) 14.201 14.061 ( 0.000 -4.714 -4.716) 6.668 14.295 ( 0.000 -4.039 -6.003) 7.235 ======================= Grid point 331 (110/300) ======================= q-point: ( 0.10 0.33 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.582 ( -5.730 31.558 36.014) 48.226 4.969 ( 9.750 36.737 27.644) 46.999 6.385 ( 5.536 -26.043 32.074) 41.685 6.439 ( 22.813 30.564 32.212) 49.922 7.207 ( 3.740 -9.933 16.636) 19.733 8.405 ( -5.198 1.589 9.657) 11.082 8.728 ( -8.500 1.158 7.648) 11.493 8.878 ( -8.008 2.002 23.178) 24.604 9.157 ( -2.666 -11.338 9.346) 14.934 9.553 ( 8.777 -21.059 11.710) 25.645 10.383 ( 0.526 12.928 29.992) 32.663 11.304 ( -7.566 -19.315 28.133) 34.954 12.679 ( -3.537 7.402 -5.160) 9.692 12.835 ( 1.552 2.265 -7.166) 7.674 13.689 ( -2.036 10.498 -9.412) 14.245 13.943 ( -3.695 -5.898 -12.544) 14.346 14.118 ( 5.031 -4.275 -5.121) 8.356 14.314 ( 1.806 -3.834 -5.602) 7.024 ======================= Grid point 332 (111/300) ======================= q-point: ( 0.20 0.33 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.555 ( 5.106 35.005 27.274) 44.669 5.275 ( 19.573 33.566 23.617) 45.471 6.541 ( 9.530 -26.238 28.790) 40.101 6.922 ( 20.968 -1.762 27.478) 34.609 7.266 ( 0.614 7.448 13.812) 15.704 8.343 ( 1.164 2.227 12.597) 12.845 8.513 ( -11.401 0.790 3.408) 11.925 8.640 ( -14.782 5.706 19.815) 25.371 9.082 ( -4.910 -8.874 17.508) 20.233 9.742 ( 8.834 -15.500 10.771) 20.840 10.405 ( 1.733 10.279 31.409) 33.094 11.115 ( -10.171 -13.551 31.624) 35.877 12.598 ( -3.993 6.830 -4.091) 8.907 12.861 ( 0.692 0.398 -7.006) 7.052 13.615 ( -5.051 4.788 -10.192) 12.341 13.847 ( -5.577 -6.099 -11.308) 14.006 14.245 ( 6.802 -2.772 -6.715) 9.952 14.365 ( 3.139 -2.484 -5.369) 6.697 ======================= Grid point 333 (112/300) ======================= q-point: ( 0.30 0.33 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( 19.594 30.780 16.850) 40.190 5.738 ( 25.331 28.750 20.341) 43.382 6.752 ( 10.168 -27.191 23.348) 37.254 6.991 ( -14.403 -9.250 12.919) 21.446 7.412 ( 14.583 7.550 18.578) 24.795 8.213 ( -16.622 -3.899 1.551) 17.144 8.247 ( -15.725 2.973 16.012) 22.638 8.607 ( 12.306 7.875 14.325) 20.461 8.977 ( -2.703 -1.430 24.361) 24.552 9.878 ( 3.754 -8.724 10.791) 14.375 10.450 ( 2.572 7.778 33.397) 34.388 10.914 ( -9.225 -7.756 34.349) 36.402 12.538 ( -1.375 5.918 -3.005) 6.778 12.853 ( -1.766 0.781 -6.269) 6.560 13.507 ( -4.821 -2.926 -9.440) 10.996 13.722 ( -6.550 -7.898 -8.901) 13.584 14.372 ( 5.411 -1.183 -8.196) 9.892 14.434 ( 3.345 -0.477 -6.226) 7.084 ======================= Grid point 334 (113/300) ======================= q-point: ( 0.40 0.33 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.311 ( 28.304 22.360 8.935) 37.160 6.260 ( 21.088 23.706 15.717) 35.407 6.547 ( -19.830 -1.698 8.297) 21.563 6.971 ( 5.902 -16.641 26.940) 32.211 7.593 ( -1.526 3.842 12.620) 13.280 7.800 ( -17.606 3.319 2.623) 18.107 8.103 ( 2.879 -13.890 12.727) 19.058 8.597 ( -11.218 -12.991 15.567) 23.172 9.208 ( 20.946 16.001 22.796) 34.848 9.858 ( -6.425 0.099 12.105) 13.705 10.514 ( 3.922 4.898 35.410) 35.962 10.746 ( -7.353 -2.865 35.872) 36.730 12.556 ( 3.205 4.878 -2.814) 6.479 12.781 ( -5.237 3.048 -5.171) 7.966 13.447 ( -0.572 -9.860 -7.618) 12.473 13.590 ( -6.183 -10.630 -6.992) 14.146 14.460 ( 3.158 0.288 -8.512) 9.084 14.489 ( 1.765 0.723 -7.665) 7.899 ======================= Grid point 335 (114/300) ======================= q-point: (-0.50 0.33 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.913 ( -29.762 13.466 4.552) 32.982 5.913 ( 29.762 13.466 4.552) 32.982 6.831 ( -20.474 6.615 24.685) 32.745 6.831 ( 20.474 6.615 24.685) 32.745 7.563 ( -6.393 -2.967 3.139) 7.715 7.563 ( 6.393 -2.967 3.139) 7.715 8.320 ( -14.367 -14.969 16.500) 26.509 8.320 ( 14.367 -14.969 16.500) 26.509 9.614 ( -17.057 9.615 16.556) 25.642 9.614 ( 17.057 9.615 16.556) 25.642 10.613 ( -5.739 1.155 36.148) 36.619 10.613 ( 5.739 1.155 36.148) 36.619 12.657 ( -6.219 4.205 -3.785) 8.407 12.657 ( 6.219 4.205 -3.785) 8.407 13.484 ( -3.885 -12.165 -6.490) 14.325 13.484 ( 3.885 -12.165 -6.490) 14.325 14.500 ( -0.737 0.977 -8.401) 8.489 14.500 ( 0.737 0.977 -8.401) 8.489 ======================= Grid point 341 (115/300) ======================= q-point: ( 0.00 0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.182 ( 0.000 24.927 36.431) 44.142 5.490 ( 0.000 13.417 26.033) 29.287 5.892 ( 0.000 -5.894 36.571) 37.043 6.292 ( 0.000 -23.981 24.840) 34.527 7.582 ( 0.000 45.548 18.642) 49.216 8.339 ( 0.000 -21.886 14.729) 26.381 8.876 ( 0.000 -0.417 -2.177) 2.216 8.917 ( 0.000 -4.569 18.466) 19.023 9.008 ( 0.000 -4.347 7.635) 8.786 9.010 ( 0.000 -9.724 26.921) 28.623 10.675 ( 0.000 15.363 30.245) 33.923 10.997 ( 0.000 -17.418 29.264) 34.055 12.840 ( 0.000 3.851 -6.771) 7.789 12.866 ( 0.000 1.132 -7.234) 7.322 13.869 ( 0.000 1.964 -15.389) 15.514 13.892 ( 0.000 -2.625 -14.019) 14.262 14.045 ( 0.000 5.500 -0.511) 5.524 14.189 ( 0.000 -6.759 -3.965) 7.836 ======================= Grid point 342 (116/300) ======================= q-point: ( 0.10 0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.189 ( 0.993 28.818 33.035) 43.849 5.566 ( 7.625 11.468 25.069) 28.603 5.932 ( 4.182 -6.561 34.989) 35.843 6.349 ( 5.435 -26.071 24.840) 36.418 7.669 ( 6.745 39.552 16.614) 43.427 8.288 ( -4.692 -18.123 12.223) 22.358 8.775 ( -4.763 7.150 5.035) 9.958 8.922 ( -5.462 1.660 21.144) 21.901 9.010 ( -0.703 -4.205 15.234) 15.820 9.094 ( 10.266 -20.787 12.679) 26.424 10.656 ( -1.582 14.258 30.981) 34.141 10.955 ( -3.917 -15.944 30.341) 34.499 12.806 ( -2.885 4.901 -6.441) 8.593 12.860 ( -0.751 -0.391 -7.018) 7.069 13.816 ( -5.099 2.212 -14.870) 15.875 13.856 ( -3.692 -2.825 -14.003) 14.755 14.106 ( 5.486 4.071 -1.756) 7.053 14.219 ( 3.089 -5.725 -3.470) 7.373 ======================= Grid point 343 (117/300) ======================= q-point: ( 0.20 0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.253 ( 6.189 34.163 25.148) 42.870 5.790 ( 13.687 0.508 22.314) 26.182 6.069 ( 9.504 -2.581 30.829) 32.364 6.506 ( 9.638 -26.456 25.217) 37.798 7.745 ( -1.298 25.284 9.316) 26.977 8.157 ( -8.404 -16.189 7.455) 19.705 8.722 ( -1.671 11.540 9.017) 14.740 8.748 ( -11.386 4.404 19.112) 22.679 9.003 ( 2.513 4.253 20.283) 20.876 9.345 ( 13.463 -22.770 13.084) 29.511 10.623 ( -1.391 11.345 32.735) 34.673 10.857 ( -5.152 -12.257 32.692) 35.292 12.738 ( -3.424 6.658 -5.564) 9.328 12.839 ( -1.141 -3.023 -6.499) 7.258 13.671 ( -8.869 2.241 -13.093) 15.972 13.741 ( -7.426 -4.700 -12.539) 15.312 14.242 ( 7.245 2.451 -3.978) 8.621 14.308 ( 5.271 -3.399 -3.988) 7.433 ======================= Grid point 344 (118/300) ======================= q-point: ( 0.30 0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.458 ( 13.916 33.318 16.786) 39.819 6.084 ( 14.044 -21.344 17.049) 30.715 6.322 ( 15.131 12.319 27.087) 33.383 6.702 ( 7.991 -18.195 25.749) 32.526 7.649 ( -5.288 14.248 4.841) 15.950 7.945 ( -11.647 -14.939 2.643) 19.126 8.445 ( -17.473 9.549 15.201) 25.051 8.609 ( -10.489 -6.249 15.339) 19.605 9.204 ( 15.618 20.179 19.697) 32.235 9.607 ( 11.516 -18.077 13.393) 25.274 10.605 ( -0.369 7.758 34.643) 35.502 10.759 ( -4.312 -7.732 34.904) 36.009 12.685 ( -1.426 8.087 -4.576) 9.401 12.820 ( -0.565 -4.526 -5.770) 7.355 13.473 ( -10.073 1.184 -10.074) 14.295 13.566 ( -9.416 -7.270 -9.510) 15.230 14.381 ( 6.033 1.646 -5.904) 8.601 14.416 ( 4.914 -1.485 -5.550) 7.560 ======================= Grid point 345 (119/300) ======================= q-point: ( 0.40 0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.798 ( 18.575 25.727 10.260) 33.350 6.297 ( 4.067 -22.552 9.575) 24.836 6.639 ( 13.771 13.023 24.986) 31.361 6.781 ( 1.218 -3.509 26.298) 26.559 7.613 ( 0.091 2.709 6.135) 6.707 7.768 ( -1.460 -11.213 1.712) 11.436 8.066 ( -18.155 12.320 13.208) 25.609 8.334 ( -15.609 -13.486 15.361) 25.719 9.532 ( 14.848 15.320 17.066) 27.321 9.777 ( 4.303 -8.464 13.166) 16.233 10.606 ( 0.469 4.275 36.147) 36.402 10.683 ( -3.217 -3.458 36.295) 36.601 12.692 ( 2.244 8.042 -4.045) 9.278 12.810 ( -0.933 -1.856 -5.139) 5.543 13.294 ( -6.400 -2.698 -6.684) 9.639 13.378 ( -8.420 -9.358 -6.497) 14.166 14.479 ( 3.459 1.213 -7.053) 7.949 14.495 ( 2.640 -0.264 -6.904) 7.396 ======================= Grid point 346 (120/300) ======================= q-point: (-0.50 0.44 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.161 ( -15.256 9.176 6.722) 19.030 6.161 ( 15.256 9.176 6.722) 19.030 6.804 ( -2.700 -5.470 25.534) 26.252 6.804 ( 2.700 -5.470 25.534) 26.252 7.680 ( -9.971 12.033 4.897) 16.376 7.680 ( 9.971 12.033 4.897) 16.376 8.016 ( -13.946 -14.819 13.499) 24.420 8.016 ( 13.946 -14.819 13.499) 24.420 9.757 ( -6.406 4.027 14.268) 16.150 9.757 ( 6.406 4.027 14.268) 16.150 10.630 ( -1.937 0.455 36.776) 36.830 10.630 ( 1.937 0.455 36.776) 36.830 12.761 ( -3.723 4.914 -4.487) 7.625 12.761 ( 3.723 4.914 -4.487) 7.625 13.255 ( -2.764 -8.574 -5.081) 10.343 13.255 ( 2.764 -8.574 -5.081) 10.343 14.518 ( -0.405 0.612 -7.418) 7.454 14.518 ( 0.405 0.612 -7.418) 7.454 ======================= Grid point 396 (121/300) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 0.000 0.000 34.605) 34.605 4.458 ( 0.000 0.000 45.146) 45.146 5.918 ( 0.000 0.000 62.330) 62.330 8.160 ( 0.000 0.000 34.925) 34.925 8.222 ( 0.000 0.000 12.474) 12.474 8.305 ( 0.000 0.000 -4.877) 4.877 8.738 ( 0.000 0.000 10.276) 10.276 9.278 ( 0.000 0.000 14.862) 14.862 10.039 ( 0.000 0.000 7.629) 7.629 10.191 ( 0.000 0.000 27.148) 27.148 10.485 ( 0.000 0.000 11.410) 11.410 12.201 ( 0.000 0.000 -4.134) 4.134 12.551 ( 0.000 0.000 -6.715) 6.715 12.833 ( 0.000 0.000 -9.336) 9.336 12.934 ( 0.000 0.000 -4.046) 4.046 14.002 ( 0.000 0.000 -12.254) 12.254 14.171 ( 0.000 0.000 0.595) 0.595 14.302 ( 0.000 0.000 -6.980) 6.980 ======================= Grid point 397 (122/300) ======================= q-point: ( 0.10 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 16.797 0.000 31.054) 35.306 4.203 ( -17.053 0.000 44.159) 47.337 6.329 ( 32.593 0.000 55.735) 64.565 8.161 ( 0.699 0.000 28.664) 28.672 8.210 ( -8.986 0.000 -3.602) 9.681 8.269 ( 3.312 0.000 17.293) 17.608 8.750 ( 1.317 0.000 10.897) 10.976 9.084 ( -16.739 0.000 13.117) 21.266 10.041 ( 0.860 0.000 10.042) 10.079 10.309 ( 9.144 0.000 26.564) 28.094 10.413 ( -6.879 0.000 12.130) 13.944 12.212 ( 0.125 0.000 -3.964) 3.966 12.449 ( -8.344 0.000 -0.205) 8.347 12.806 ( -2.616 0.000 -7.986) 8.404 12.993 ( 5.272 0.000 -5.413) 7.556 13.982 ( -1.918 0.000 -12.461) 12.607 14.163 ( -0.578 0.000 -1.960) 2.043 14.310 ( 0.784 0.000 -7.272) 7.314 ======================= Grid point 398 (123/300) ======================= q-point: ( 0.20 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 27.562 0.000 22.818) 35.782 4.000 ( -0.102 0.000 33.581) 33.582 6.982 ( 25.750 0.000 38.177) 46.050 7.996 ( -8.476 0.000 6.458) 10.656 8.176 ( -3.561 0.000 12.048) 12.564 8.250 ( -7.298 0.000 26.956) 27.926 8.765 ( -7.839 0.000 13.126) 15.288 8.792 ( 2.919 0.000 12.408) 12.747 10.064 ( 0.711 0.000 12.378) 12.398 10.219 ( -11.780 0.000 14.099) 18.373 10.506 ( 9.895 0.000 28.185) 29.871 12.088 ( -13.155 0.000 9.261) 16.088 12.361 ( 1.135 0.000 -1.660) 2.011 12.736 ( -3.919 0.000 -5.046) 6.389 13.130 ( 7.925 0.000 -6.830) 10.462 13.925 ( -3.565 0.000 -12.552) 13.049 14.160 ( 0.510 0.000 -6.916) 6.934 14.329 ( 0.893 0.000 -8.251) 8.299 ======================= Grid point 399 (124/300) ======================= q-point: ( 0.30 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.234 ( 22.402 0.000 16.771) 27.984 4.426 ( 31.502 0.000 13.367) 34.221 7.095 ( -14.082 0.000 4.730) 14.855 7.683 ( -34.577 0.000 3.425) 34.747 8.085 ( 15.251 0.000 29.797) 33.473 8.264 ( 2.934 0.000 25.015) 25.186 8.819 ( 8.884 0.000 16.514) 18.752 8.890 ( 7.950 0.000 17.584) 19.297 9.950 ( -14.297 0.000 16.808) 22.066 10.039 ( -3.881 0.000 16.253) 16.710 10.711 ( 10.470 0.000 29.469) 31.273 11.783 ( -15.537 0.000 21.023) 26.141 12.414 ( 3.164 0.000 -4.117) 5.192 12.657 ( -3.677 0.000 -2.629) 4.521 13.302 ( 8.608 0.000 -7.935) 11.708 13.841 ( -4.658 0.000 -12.127) 12.991 14.186 ( 2.015 0.000 -10.571) 10.761 14.340 ( 0.060 0.000 -9.655) 9.655 ======================= Grid point 400 (125/300) ======================= q-point: ( 0.40 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( 33.655 0.000 2.144) 33.723 5.048 ( 27.935 0.000 3.682) 28.177 6.673 ( -22.984 0.000 2.392) 23.108 6.928 ( -37.282 0.000 3.132) 37.413 8.322 ( 2.586 0.000 20.517) 20.679 8.324 ( 5.815 0.000 21.596) 22.365 9.043 ( 12.456 0.000 17.100) 21.156 9.159 ( 17.436 0.000 24.611) 30.161 9.655 ( -14.114 0.000 20.466) 24.861 9.886 ( -11.281 0.000 22.178) 24.882 10.938 ( 11.908 0.000 29.723) 32.020 11.476 ( -14.480 0.000 26.671) 30.348 12.478 ( 2.989 0.000 -3.909) 4.921 12.590 ( -2.901 0.000 -1.977) 3.511 13.470 ( 7.810 0.000 -9.042) 11.948 13.738 ( -5.489 0.000 -11.292) 12.555 14.236 ( 2.732 0.000 -12.079) 12.384 14.328 ( -1.262 0.000 -11.029) 11.101 ======================= Grid point 401 (126/300) ======================= q-point: (-0.50 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.362 ( -6.956 0.000 -5.732) 9.013 5.362 ( 6.956 0.000 -5.732) 9.013 6.388 ( -5.357 0.000 7.555) 9.261 6.388 ( 5.357 0.000 7.555) 9.261 8.360 ( -0.822 0.000 18.341) 18.359 8.360 ( 0.822 0.000 18.341) 18.359 9.302 ( -11.261 0.000 15.148) 18.875 9.302 ( 11.261 0.000 15.148) 18.875 9.599 ( -14.936 0.000 29.751) 33.290 9.599 ( 14.936 0.000 29.751) 33.290 11.195 ( -13.242 0.000 29.027) 31.904 11.195 ( 13.242 0.000 29.027) 31.904 12.535 ( -2.679 0.000 -2.791) 3.869 12.535 ( 2.679 0.000 -2.791) 3.869 13.616 ( -6.533 0.000 -10.205) 12.117 13.616 ( 6.533 0.000 -10.205) 12.117 14.290 ( -2.386 0.000 -12.003) 12.238 14.290 ( 2.386 0.000 -12.003) 12.238 ======================= Grid point 407 (127/300) ======================= q-point: ( 0.00 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 0.000 37.378 29.316) 47.503 4.607 ( 0.000 14.487 43.235) 45.598 6.010 ( 0.000 9.690 60.938) 61.704 7.884 ( 0.000 -20.580 27.818) 34.603 8.118 ( 0.000 -10.152 13.156) 16.618 8.381 ( 0.000 4.088 -1.309) 4.292 8.865 ( 0.000 9.425 15.293) 17.964 9.286 ( 0.000 0.739 14.288) 14.308 9.921 ( 0.000 -10.971 9.099) 14.253 10.212 ( 0.000 -0.033 22.358) 22.358 10.492 ( 0.000 2.474 16.469) 16.654 12.232 ( 0.000 1.605 -4.104) 4.407 12.565 ( 0.000 1.392 -6.905) 7.044 12.623 ( 0.000 -13.473 -2.260) 13.661 13.087 ( 0.000 9.866 -6.507) 11.818 13.973 ( 0.000 -3.240 -12.810) 13.213 14.157 ( 0.000 -1.701 -0.335) 1.734 14.275 ( 0.000 -2.199 -6.631) 6.986 ======================= Grid point 408 (128/300) ======================= q-point: ( 0.10 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 13.915 35.107 26.949) 46.394 4.351 ( -16.899 14.394 42.414) 47.872 6.418 ( 32.036 9.117 54.243) 63.653 7.911 ( 2.569 -19.297 26.362) 32.771 8.129 ( -1.206 -9.812 10.341) 14.306 8.310 ( -4.717 3.478 3.512) 6.832 8.855 ( -1.045 7.156 14.712) 16.393 9.108 ( -15.726 2.428 12.790) 20.415 9.928 ( 0.342 -11.090 10.722) 15.430 10.251 ( 1.800 -3.456 19.460) 19.846 10.501 ( 1.979 6.762 20.211) 21.404 12.208 ( -3.768 -2.318 -1.478) 4.664 12.434 ( -6.776 -1.066 0.682) 6.893 12.698 ( 2.800 -5.964 -7.054) 9.652 13.111 ( 2.497 8.991 -6.384) 11.306 13.946 ( -2.459 -3.782 -12.507) 13.296 14.153 ( -0.104 -1.063 -2.513) 2.731 14.289 ( 1.128 -1.929 -7.207) 7.546 ======================= Grid point 409 (129/300) ======================= q-point: ( 0.20 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 8.737 19.401 28.868) 35.862 4.228 ( 14.535 24.070 24.453) 37.263 7.047 ( 23.619 6.510 36.257) 43.759 7.963 ( -3.298 -5.318 15.684) 16.886 8.011 ( -0.165 -15.074 17.554) 23.139 8.250 ( -7.242 2.079 12.457) 14.558 8.759 ( -10.691 0.081 12.268) 16.273 8.843 ( -1.749 3.020 14.077) 14.503 9.906 ( -3.470 -12.480 14.990) 19.811 10.234 ( -2.855 0.112 14.410) 14.691 10.601 ( 7.250 7.815 26.861) 28.899 12.025 ( -12.938 -6.112 12.208) 18.809 12.377 ( 0.420 1.650 -1.933) 2.576 12.714 ( -1.057 -1.475 -6.103) 6.367 13.195 ( 5.689 5.795 -6.872) 10.639 13.881 ( -3.731 -4.386 -12.049) 13.354 14.162 ( 0.986 0.106 -6.811) 6.883 14.312 ( 0.987 -1.639 -8.361) 8.577 ======================= Grid point 410 (130/300) ======================= q-point: ( 0.30 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.293 ( 20.634 9.400 18.072) 28.996 4.735 ( 28.917 26.110 11.572) 40.643 7.104 ( -16.311 1.121 5.026) 17.104 7.756 ( -27.978 6.008 3.794) 28.866 8.063 ( 4.030 -7.050 24.533) 25.842 8.160 ( 11.214 -4.555 28.668) 31.119 8.756 ( 6.038 -5.300 14.393) 16.483 8.890 ( 8.699 -0.899 18.843) 20.774 9.771 ( -9.461 -11.159 19.758) 24.585 10.153 ( -5.531 5.165 14.914) 16.725 10.771 ( 9.221 5.589 29.438) 31.351 11.743 ( -14.116 -3.767 22.159) 26.542 12.409 ( 2.290 -0.224 -3.089) 3.851 12.669 ( -3.006 1.071 -4.118) 5.210 13.330 ( 7.263 2.442 -7.905) 11.009 13.800 ( -4.218 -4.094 -11.450) 12.871 14.193 ( 1.983 0.657 -10.130) 10.343 14.325 ( 0.127 -1.444 -9.561) 9.670 ======================= Grid point 411 (131/300) ======================= q-point: ( 0.40 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.854 ( 32.206 5.406 4.679) 32.990 5.310 ( 24.923 22.035 1.935) 33.323 6.651 ( -23.226 -0.423 4.186) 23.604 7.085 ( -34.120 13.622 2.666) 36.836 8.167 ( 4.967 -12.983 19.350) 23.825 8.302 ( 1.052 -4.380 20.574) 21.062 8.938 ( 11.927 -9.199 18.095) 23.544 9.187 ( 16.115 0.764 20.696) 26.241 9.560 ( -8.990 -5.695 25.433) 27.570 9.981 ( -11.776 6.682 19.815) 23.999 10.975 ( 10.817 3.511 30.082) 32.160 11.465 ( -13.160 -1.065 27.330) 30.352 12.465 ( 3.130 -0.920 -3.018) 4.444 12.603 ( -3.418 1.039 -3.145) 4.759 13.476 ( 6.847 0.101 -8.833) 11.176 13.709 ( -4.745 -3.056 -10.606) 12.015 14.238 ( 2.368 0.361 -11.584) 11.829 14.315 ( -1.039 -1.055 -10.711) 10.813 ======================= Grid point 412 (132/300) ======================= q-point: (-0.50 0.11 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.446 ( -18.486 8.220 -4.247) 20.672 5.446 ( 18.486 8.220 -4.247) 20.672 6.504 ( -16.686 11.352 7.436) 21.508 6.504 ( 16.686 11.352 7.436) 21.508 8.259 ( -3.927 -9.790 17.308) 20.269 8.259 ( 3.927 -9.790 17.308) 20.269 9.195 ( -11.862 -9.354 17.476) 23.100 9.195 ( 11.862 -9.354 17.476) 23.100 9.682 ( -16.490 6.927 26.920) 32.320 9.682 ( 16.490 6.927 26.920) 32.320 11.208 ( -12.075 1.347 29.529) 31.931 11.208 ( 12.075 1.347 29.529) 31.931 12.533 ( -3.448 -0.140 -2.914) 4.517 12.533 ( 3.448 -0.140 -2.914) 4.517 13.604 ( -5.688 -1.632 -9.708) 11.369 13.604 ( 5.688 -1.632 -9.708) 11.369 14.284 ( -2.001 -0.375 -11.558) 11.735 14.284 ( 2.001 -0.375 -11.558) 11.735 ======================= Grid point 418 (133/300) ======================= q-point: ( 0.00 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.458 ( 0.000 45.246 22.809) 50.670 5.004 ( 0.000 24.366 38.439) 45.511 6.333 ( 0.000 23.519 55.078) 59.889 7.431 ( 0.000 -24.062 27.734) 36.717 7.839 ( 0.000 -16.984 15.100) 22.725 8.469 ( 0.000 5.023 -0.418) 5.041 9.028 ( 0.000 6.036 17.510) 18.521 9.296 ( 0.000 -0.444 11.044) 11.052 9.657 ( 0.000 -13.696 14.095) 19.653 10.099 ( 0.000 -11.336 16.247) 19.811 10.647 ( 0.000 12.355 24.496) 27.436 12.112 ( 0.000 -14.676 5.139) 15.550 12.501 ( 0.000 2.943 -2.865) 4.108 12.606 ( 0.000 2.593 -7.419) 7.859 13.301 ( 0.000 11.105 -8.166) 13.784 13.863 ( 0.000 -7.582 -14.273) 16.162 14.097 ( 0.000 -4.160 -1.123) 4.309 14.234 ( 0.000 -1.766 -5.666) 5.935 ======================= Grid point 419 (134/300) ======================= q-point: ( 0.10 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.574 ( 11.101 44.084 21.068) 50.105 4.752 ( -17.337 25.874 38.377) 49.425 6.705 ( 28.954 19.864 48.772) 60.097 7.471 ( 4.019 -23.931 26.797) 36.151 7.854 ( 0.229 -16.870 14.250) 22.084 8.402 ( -5.070 5.848 2.089) 8.016 8.946 ( -7.386 0.946 13.598) 15.503 9.175 ( -11.766 3.777 13.108) 18.015 9.666 ( 0.714 -13.132 15.333) 20.200 10.132 ( 2.741 -9.648 15.536) 18.492 10.685 ( 3.547 11.694 25.387) 28.175 12.039 ( -6.790 -13.486 9.403) 17.787 12.467 ( -2.280 4.419 -2.988) 5.801 12.650 ( 3.118 0.598 -7.696) 8.325 13.308 ( 0.561 10.020 -8.122) 12.910 13.830 ( -2.886 -7.534 -13.213) 15.481 14.112 ( 1.474 -3.164 -3.034) 4.625 14.248 ( 1.215 -1.814 -6.257) 6.627 ======================= Grid point 420 (135/300) ======================= q-point: ( 0.20 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( -4.124 26.890 30.926) 41.188 4.897 ( 19.996 39.281 16.790) 47.167 7.236 ( 16.329 11.748 29.837) 35.985 7.595 ( 6.088 -22.801 22.837) 32.840 7.800 ( -1.273 -13.271 18.257) 22.607 8.350 ( -1.180 8.133 8.829) 12.062 8.763 ( -8.585 -2.226 10.373) 13.647 8.876 ( -14.622 2.056 14.156) 20.455 9.659 ( -2.089 -10.758 19.761) 22.597 10.190 ( 2.501 -5.177 14.158) 15.281 10.782 ( 5.783 10.154 27.406) 29.793 11.860 ( -10.155 -9.924 17.710) 22.699 12.428 ( -1.335 3.494 -2.709) 4.619 12.701 ( 1.353 0.232 -7.496) 7.621 13.324 ( 1.225 6.124 -8.091) 10.221 13.761 ( -3.634 -7.202 -11.599) 14.129 14.153 ( 2.425 -1.272 -6.594) 7.140 14.276 ( 1.352 -1.455 -7.258) 7.525 ======================= Grid point 421 (136/300) ======================= q-point: ( 0.30 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.622 ( 15.176 22.678 18.608) 33.028 5.362 ( 24.952 34.981 10.552) 44.245 7.144 ( -20.688 2.497 5.207) 21.479 7.654 ( 4.962 -20.349 14.396) 25.416 7.958 ( -5.712 1.403 24.383) 25.082 8.161 ( -4.712 2.657 14.400) 15.383 8.630 ( -5.897 -7.426 10.947) 14.483 8.866 ( 14.895 0.259 20.408) 25.267 9.575 ( -5.538 -7.493 24.333) 26.056 10.207 ( -1.627 -0.057 14.471) 14.563 10.913 ( 7.038 8.220 29.606) 31.522 11.646 ( -10.523 -5.589 24.685) 27.410 12.419 ( 0.632 1.577 -2.157) 2.746 12.694 ( -1.979 1.397 -6.265) 6.716 13.366 ( 2.970 0.120 -8.340) 8.853 13.687 ( -3.618 -6.787 -10.073) 12.673 14.206 ( 2.607 0.362 -9.341) 9.704 14.298 ( 0.763 -0.559 -8.291) 8.345 ======================= Grid point 422 (137/300) ======================= q-point: ( 0.40 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.079 ( 28.068 16.642 7.184) 33.412 5.837 ( 16.502 29.288 1.440) 33.648 6.684 ( -17.679 3.531 7.313) 19.455 7.415 ( -29.879 18.493 2.612) 35.236 7.829 ( 7.045 -19.899 18.889) 28.326 8.159 ( -5.770 -9.674 17.300) 20.644 8.694 ( 11.393 -15.010 16.807) 25.251 9.121 ( 1.996 -7.710 16.792) 18.585 9.542 ( 7.941 4.759 30.011) 31.406 10.100 ( -9.216 4.655 17.879) 20.646 11.068 ( 8.224 5.573 30.913) 32.470 11.439 ( -9.844 -1.429 28.892) 30.556 12.457 ( 3.067 0.563 -2.282) 3.864 12.628 ( -4.187 1.635 -4.766) 6.552 13.441 ( 4.193 -4.462 -8.399) 10.394 13.612 ( -3.869 -6.666 -8.906) 11.777 14.255 ( 2.129 1.219 -10.485) 10.768 14.304 ( -0.203 0.483 -9.424) 9.439 ======================= Grid point 423 (138/300) ======================= q-point: (-0.50 0.22 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.674 ( -27.027 14.156 -0.824) 30.521 5.674 ( 27.027 14.156 -0.824) 30.521 6.816 ( -25.762 18.993 7.755) 32.933 6.816 ( 25.762 18.993 7.755) 32.933 7.995 ( -8.748 -15.766 15.058) 23.491 7.995 ( 8.748 -15.766 15.058) 23.491 8.961 ( -12.864 -13.827 18.305) 26.301 8.961 ( 12.864 -13.827 18.305) 26.301 9.838 ( -15.843 8.216 23.996) 29.905 9.838 ( 15.843 8.216 23.996) 29.905 11.246 ( -9.152 2.304 30.749) 32.165 11.246 ( 9.152 2.304 30.749) 32.165 12.537 ( -4.497 0.877 -3.318) 5.657 12.537 ( 4.497 0.877 -3.318) 5.657 13.529 ( -4.270 -6.344 -8.405) 11.363 13.529 ( 4.270 -6.344 -8.405) 11.363 14.289 ( -1.247 1.201 -10.331) 10.475 14.289 ( 1.247 1.201 -10.331) 10.475 ======================= Grid point 429 (139/300) ======================= q-point: ( 0.00 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.251 ( 0.000 33.140 24.249) 41.064 5.534 ( 0.000 27.537 32.261) 42.415 6.905 ( 0.000 25.626 40.489) 47.917 6.951 ( 0.000 -23.357 29.438) 37.578 7.524 ( 0.000 -7.082 19.695) 20.930 8.583 ( 0.000 6.344 2.420) 6.790 9.072 ( 0.000 -3.158 14.689) 15.025 9.203 ( 0.000 -9.936 2.313) 10.202 9.474 ( 0.000 -3.134 23.951) 24.156 9.798 ( 0.000 -17.172 20.422) 26.682 10.930 ( 0.000 14.991 25.793) 29.833 11.791 ( 0.000 -15.826 14.860) 21.709 12.608 ( 0.000 5.882 -5.856) 8.300 12.664 ( 0.000 3.127 -7.976) 8.568 13.493 ( 0.000 6.907 -12.307) 14.113 13.699 ( 0.000 -7.884 -15.948) 17.791 14.020 ( 0.000 -2.325 -0.192) 2.333 14.196 ( 0.000 -2.372 -4.246) 4.864 ======================= Grid point 430 (140/300) ======================= q-point: ( 0.10 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.239 ( -5.633 27.844 29.763) 41.144 5.466 ( 1.828 37.707 24.005) 44.737 6.978 ( 2.604 -23.659 27.520) 36.386 7.134 ( 18.183 10.694 36.292) 41.978 7.562 ( 2.570 -1.495 19.230) 19.459 8.546 ( -1.886 8.575 5.504) 10.363 8.863 ( -13.904 -9.365 6.702) 18.054 9.229 ( -6.093 0.606 12.269) 13.712 9.475 ( 2.125 -5.203 22.102) 22.806 9.861 ( 5.856 -16.715 18.800) 25.828 10.946 ( 1.654 13.861 26.387) 29.852 11.751 ( -3.752 -14.391 17.165) 22.712 12.574 ( -2.665 5.663 -5.461) 8.306 12.686 ( 1.536 2.299 -7.817) 8.292 13.470 ( -2.349 5.166 -12.138) 13.399 13.673 ( -2.271 -7.366 -14.676) 16.577 14.052 ( 2.970 -1.605 -1.795) 3.824 14.214 ( 1.667 -1.966 -4.586) 5.261 ======================= Grid point 431 (141/300) ======================= q-point: ( 0.20 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.095 ( -3.834 31.378 27.068) 41.617 5.674 ( 15.825 36.587 17.321) 43.463 7.051 ( 4.262 -26.497 22.518) 35.033 7.461 ( 3.288 -19.928 21.960) 29.836 7.573 ( 5.920 16.650 20.068) 26.739 8.534 ( -12.443 0.026 0.431) 12.450 8.642 ( 6.435 1.655 18.152) 19.330 8.972 ( -16.841 6.075 13.970) 22.709 9.506 ( -0.159 -4.679 23.779) 24.235 10.010 ( 7.841 -12.908 16.298) 22.220 10.999 ( 3.517 11.338 27.918) 30.337 11.650 ( -5.780 -10.770 22.264) 25.398 12.516 ( -2.656 5.226 -4.077) 7.140 12.715 ( 1.093 0.732 -7.652) 7.764 13.399 ( -4.283 1.057 -11.138) 11.980 13.616 ( -3.277 -6.977 -12.166) 14.403 14.130 ( 4.368 0.013 -4.884) 6.552 14.258 ( 2.406 -0.843 -5.498) 6.060 ======================= Grid point 432 (142/300) ======================= q-point: ( 0.30 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.156 ( 10.161 29.998 17.752) 36.307 6.061 ( 21.452 33.512 12.685) 41.763 7.050 ( -11.599 -20.901 8.590) 25.400 7.312 ( -1.212 -4.275 17.865) 18.409 7.863 ( 14.583 -8.633 25.058) 30.250 8.195 ( -18.602 -5.890 -1.888) 19.603 8.543 ( -19.412 3.955 13.899) 24.200 8.923 ( 9.377 3.286 18.144) 20.687 9.505 ( 2.880 1.551 27.776) 27.968 10.140 ( 4.099 -6.836 15.645) 17.559 11.084 ( 4.659 8.655 29.968) 31.539 11.528 ( -6.066 -6.249 27.213) 28.573 12.480 ( -0.617 4.535 -2.782) 5.356 12.720 ( -0.891 0.827 -7.088) 7.191 13.319 ( -2.906 -3.955 -9.129) 10.365 13.540 ( -4.225 -8.049 -9.566) 13.196 14.218 ( 4.069 1.470 -7.372) 8.548 14.304 ( 1.973 0.546 -6.865) 7.163 ======================= Grid point 433 (143/300) ======================= q-point: ( 0.40 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.489 ( 21.597 23.735 8.807) 33.277 6.413 ( -2.057 25.875 1.794) 26.019 6.756 ( 2.315 2.310 10.852) 11.335 7.437 ( 8.957 -16.452 19.763) 27.230 7.756 ( -23.719 9.866 -1.704) 25.746 7.971 ( -10.299 -3.829 20.565) 23.316 8.364 ( 8.908 -16.803 13.636) 23.401 8.915 ( -9.174 -12.418 16.879) 22.875 9.707 ( 14.813 10.575 26.716) 32.326 10.150 ( -3.543 0.060 17.086) 17.449 11.184 ( 5.127 5.709 31.758) 32.672 11.407 ( -5.777 -1.838 30.556) 31.152 12.500 ( 2.645 3.907 -2.737) 5.455 12.671 ( -3.836 2.542 -5.864) 7.454 13.300 ( 1.081 -8.644 -7.122) 11.252 13.447 ( -4.765 -9.688 -7.439) 13.111 14.289 ( 2.769 2.248 -8.684) 9.388 14.332 ( 0.650 1.683 -8.208) 8.404 ======================= Grid point 434 (144/300) ======================= q-point: (-0.50 0.33 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.988 ( -26.127 16.596 2.738) 31.074 5.988 ( 26.127 16.596 2.738) 31.074 7.189 ( -26.846 14.084 9.522) 31.777 7.189 ( 26.846 14.084 9.522) 31.777 7.701 ( -12.856 -9.332 12.718) 20.350 7.701 ( 12.856 -9.332 12.718) 20.350 8.650 ( -15.233 -17.254 17.074) 28.658 8.650 ( 15.233 -17.254 17.074) 28.658 9.993 ( -11.675 6.832 21.174) 25.126 9.993 ( 11.675 6.832 21.174) 25.126 11.292 ( -5.525 2.140 32.069) 32.612 11.292 ( 5.526 2.140 32.069) 32.612 12.579 ( -4.719 3.498 -4.077) 7.150 12.579 ( 4.719 3.498 -4.077) 7.150 13.355 ( -3.995 -10.427 -6.468) 12.904 13.355 ( 3.995 -10.427 -6.468) 12.904 14.328 ( -1.066 2.292 -8.919) 9.270 14.328 ( 1.066 2.292 -8.919) 9.270 ======================= Grid point 440 (145/300) ======================= q-point: ( 0.00 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.800 ( 0.000 22.558 26.441) 34.757 5.997 ( 0.000 11.832 25.246) 27.881 6.580 ( 0.000 -7.458 32.442) 33.288 6.819 ( 0.000 -20.519 27.627) 34.414 8.010 ( 0.000 40.227 24.676) 47.192 8.658 ( 0.000 -10.634 16.380) 19.529 8.852 ( 0.000 -8.611 1.169) 8.690 8.977 ( 0.000 -11.014 1.017) 11.061 9.470 ( 0.000 1.404 25.342) 25.381 9.538 ( 0.000 -6.957 26.111) 27.022 11.221 ( 0.000 14.055 24.656) 28.381 11.496 ( 0.000 -13.920 20.990) 25.186 12.701 ( 0.000 2.962 -7.217) 7.801 12.715 ( 0.000 1.402 -7.944) 8.066 13.555 ( 0.000 0.418 -16.306) 16.311 13.581 ( 0.000 -3.420 -16.970) 17.311 14.040 ( 0.000 3.919 0.009) 3.919 14.130 ( 0.000 -4.272 -2.247) 4.827 ======================= Grid point 441 (146/300) ======================= q-point: ( 0.10 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.775 ( -2.665 25.028 26.659) 36.663 6.036 ( 4.709 11.713 22.402) 25.714 6.583 ( 0.744 -7.100 30.441) 31.267 6.870 ( 4.969 -22.799 26.941) 35.642 8.026 ( -0.531 31.014 18.636) 36.186 8.536 ( -10.945 -18.359 11.854) 24.441 8.810 ( 2.133 13.141 3.389) 13.737 9.119 ( 5.300 -13.343 7.791) 16.335 9.450 ( -0.503 2.042 25.489) 25.576 9.559 ( 2.649 -10.384 25.503) 27.663 11.218 ( -0.146 13.253 25.416) 28.664 11.478 ( -1.662 -13.092 22.317) 25.927 12.674 ( -2.138 3.973 -6.862) 8.213 12.715 ( -0.296 -0.001 -7.495) 7.501 13.513 ( -3.874 0.762 -15.657) 16.148 13.558 ( -2.378 -4.079 -15.815) 16.505 14.078 ( 3.472 3.662 -1.166) 5.180 14.158 ( 2.608 -3.710 -2.774) 5.316 ======================= Grid point 442 (147/300) ======================= q-point: ( 0.20 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.727 ( -0.720 31.160 22.945) 38.703 6.190 ( 9.646 0.210 18.405) 20.781 6.632 ( 4.580 -0.269 25.593) 26.001 7.017 ( 9.023 -23.978 25.274) 35.988 7.928 ( -8.387 17.939 8.717) 21.637 8.274 ( -14.320 -16.514 4.023) 22.225 8.915 ( 4.322 14.257 13.529) 20.125 9.056 ( -9.901 0.452 13.292) 16.580 9.483 ( 3.981 3.842 25.853) 26.438 9.703 ( 11.181 -16.183 21.782) 29.349 11.223 ( 0.784 10.997 27.418) 29.551 11.437 ( -2.113 -10.606 25.528) 27.724 12.626 ( -2.308 5.328 -5.664) 8.112 12.706 ( -0.499 -2.196 -6.837) 7.198 13.408 ( -6.141 1.503 -13.244) 14.676 13.485 ( -4.658 -5.846 -13.204) 15.173 14.167 ( 4.894 3.119 -3.642) 6.852 14.227 ( 3.799 -2.426 -4.212) 6.170 ======================= Grid point 443 (148/300) ======================= q-point: ( 0.30 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.784 ( 6.694 32.229 16.132) 36.657 6.386 ( 8.431 -22.325 13.972) 27.653 6.785 ( 10.300 18.801 18.762) 28.488 7.188 ( 5.828 -14.414 22.063) 26.991 7.783 ( -2.379 3.719 8.590) 9.658 7.969 ( -15.080 -12.701 0.667) 19.727 8.728 ( -18.486 10.779 14.054) 25.601 8.903 ( -8.899 -5.746 15.256) 18.573 9.661 ( 12.829 12.908 25.251) 31.126 9.937 ( 10.464 -13.060 19.426) 25.640 11.250 ( 1.719 7.892 29.961) 31.031 11.397 ( -1.830 -6.907 29.066) 29.932 12.593 ( -0.605 6.375 -4.529) 7.844 12.700 ( 0.018 -3.429 -6.278) 7.153 13.277 ( -6.397 1.208 -9.518) 11.532 13.375 ( -6.006 -7.703 -9.677) 13.750 14.263 ( 4.290 2.533 -5.987) 7.789 14.301 ( 3.282 -1.059 -6.025) 6.942 ======================= Grid point 444 (149/300) ======================= q-point: ( 0.40 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.993 ( 13.252 25.970 9.323) 30.609 6.469 ( -2.285 -19.055 7.707) 20.681 6.990 ( 8.369 19.185 9.732) 23.083 7.253 ( 2.379 -6.313 20.525) 21.606 7.715 ( -6.497 0.188 2.048) 6.815 7.912 ( 12.965 -14.545 15.665) 25.001 8.311 ( -21.091 14.991 12.233) 28.622 8.634 ( -16.377 -15.629 15.388) 27.373 9.925 ( 11.538 10.393 21.965) 26.900 10.092 ( 4.183 -5.901 18.322) 19.698 11.287 ( 1.795 4.486 32.142) 32.504 11.361 ( -1.815 -2.954 31.729) 31.918 12.609 ( 2.084 6.363 -4.359) 7.989 12.699 ( -0.555 -1.223 -6.064) 6.211 13.171 ( -3.348 -1.976 -5.619) 6.833 13.252 ( -5.740 -8.653 -6.180) 12.084 14.334 ( 2.574 1.884 -7.537) 8.184 14.352 ( 1.641 0.120 -7.480) 7.659 ======================= Grid point 445 (150/300) ======================= q-point: (-0.50 0.44 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.283 ( -13.841 10.540 5.261) 18.175 6.283 ( 13.841 10.540 5.261) 18.175 7.170 ( -9.364 -8.196 10.461) 16.257 7.170 ( 9.364 -8.196 10.461) 16.257 7.858 ( -17.243 19.073 13.548) 29.063 7.858 ( 17.243 19.073 13.548) 29.063 8.279 ( -17.363 -19.663 13.894) 29.684 8.279 ( 17.363 -19.663 13.894) 29.684 10.092 ( -4.345 2.729 19.098) 19.775 10.092 ( 4.345 2.729 19.098) 19.775 11.323 ( -1.827 0.834 32.889) 32.950 11.323 ( 1.827 0.834 32.889) 32.950 12.664 ( -2.769 3.864 -5.353) 7.159 12.664 ( 2.769 3.864 -5.353) 7.159 13.162 ( -2.484 -6.988 -4.193) 8.519 13.162 ( 2.484 -6.988 -4.193) 8.519 14.365 ( -0.457 1.093 -8.050) 8.137 14.365 ( 0.457 1.093 -8.050) 8.137 ======================= Grid point 495 (151/300) ======================= q-point: ( 0.00 0.00 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( 0.000 0.000 30.414) 30.414 5.244 ( 0.000 0.000 34.283) 34.283 7.058 ( 0.000 0.000 53.786) 53.786 8.217 ( 0.000 0.000 -3.236) 3.236 8.463 ( 0.000 0.000 11.688) 11.688 8.828 ( 0.000 0.000 32.817) 32.817 8.910 ( 0.000 0.000 7.262) 7.262 9.480 ( 0.000 0.000 6.001) 6.001 10.239 ( 0.000 0.000 12.104) 12.104 10.655 ( 0.000 0.000 19.444) 19.444 10.718 ( 0.000 0.000 11.794) 11.794 12.111 ( 0.000 0.000 -5.190) 5.190 12.417 ( 0.000 0.000 -6.878) 6.878 12.650 ( 0.000 0.000 -9.189) 9.189 12.860 ( 0.000 0.000 -3.468) 3.468 13.744 ( 0.000 0.000 -13.612) 13.612 14.165 ( 0.000 0.000 -1.147) 1.147 14.182 ( 0.000 0.000 -5.162) 5.162 ======================= Grid point 496 (152/300) ======================= q-point: ( 0.10 0.00 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.931 ( 11.238 0.000 27.769) 29.957 4.984 ( -20.255 0.000 34.808) 40.272 7.295 ( 16.326 0.000 40.139) 43.332 8.202 ( 0.566 0.000 5.646) 5.674 8.449 ( -2.299 0.000 10.137) 10.395 8.854 ( 2.359 0.000 31.881) 31.969 8.930 ( 2.077 0.000 7.633) 7.911 9.265 ( -17.993 0.000 5.846) 18.919 10.269 ( 2.772 0.000 12.820) 13.116 10.662 ( -5.380 0.000 12.636) 13.734 10.777 ( 10.089 0.000 20.154) 22.538 12.121 ( 0.807 0.000 -5.349) 5.410 12.398 ( -1.690 0.000 -4.419) 4.731 12.648 ( -0.198 0.000 -7.893) 7.895 12.899 ( 3.750 0.000 -4.090) 5.549 13.724 ( -1.913 0.000 -13.522) 13.657 14.131 ( -3.030 0.000 -1.581) 3.418 14.181 ( -0.194 0.000 -5.818) 5.821 ======================= Grid point 497 (153/300) ======================= q-point: ( 0.20 0.00 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 19.143 0.000 20.933) 28.366 4.618 ( -12.452 0.000 28.722) 31.305 7.413 ( -7.177 0.000 7.208) 10.172 8.265 ( -19.554 0.000 1.261) 19.595 8.369 ( 15.179 0.000 29.290) 32.990 8.828 ( -8.261 0.000 24.678) 26.024 9.014 ( 7.229 0.000 11.335) 13.445 9.022 ( 2.466 0.000 16.140) 16.327 10.337 ( 3.397 0.000 14.758) 15.144 10.510 ( -9.202 0.000 14.902) 17.514 11.000 ( 11.135 0.000 21.386) 24.111 12.125 ( -1.159 0.000 -3.433) 3.623 12.360 ( -1.412 0.000 0.196) 1.426 12.638 ( -0.852 0.000 -4.843) 4.917 13.004 ( 6.316 0.000 -5.783) 8.564 13.670 ( -3.311 0.000 -13.280) 13.686 14.063 ( -3.128 0.000 -3.419) 4.634 14.173 ( -0.656 0.000 -7.449) 7.478 ======================= Grid point 498 (154/300) ======================= q-point: ( 0.30 0.00 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( 6.709 0.000 15.251) 16.662 4.676 ( 22.176 0.000 11.842) 25.140 7.116 ( -19.076 0.000 -0.731) 19.090 7.669 ( -35.431 0.000 -3.620) 35.615 8.619 ( 6.859 0.000 21.557) 22.622 8.726 ( -2.172 0.000 20.704) 20.818 9.174 ( 10.021 0.000 19.926) 22.304 9.274 ( 17.850 0.000 23.106) 29.198 10.300 ( -11.047 0.000 18.058) 21.169 10.381 ( 0.246 0.000 17.751) 17.752 11.223 ( 10.842 0.000 21.902) 24.438 12.049 ( -6.339 0.000 5.353) 8.297 12.366 ( 2.007 0.000 0.184) 2.015 12.612 ( -1.775 0.000 -1.817) 2.540 13.144 ( 7.153 0.000 -7.897) 10.655 13.594 ( -4.068 0.000 -12.858) 13.486 14.020 ( -0.959 0.000 -6.564) 6.634 14.151 ( -1.467 0.000 -9.329) 9.444 ======================= Grid point 499 (155/300) ======================= q-point: ( 0.40 0.00 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.859 ( 21.040 0.000 0.343) 21.043 5.099 ( 17.377 0.000 1.252) 17.422 6.717 ( -18.235 0.000 2.227) 18.370 6.943 ( -33.017 0.000 -0.858) 33.028 8.684 ( 0.970 0.000 15.242) 15.273 8.701 ( -0.670 0.000 17.775) 17.788 9.401 ( 11.868 0.000 19.198) 22.570 9.625 ( 12.756 0.000 23.293) 26.557 10.096 ( -6.743 0.000 23.130) 24.093 10.326 ( -5.844 0.000 21.789) 22.559 11.446 ( 11.158 0.000 21.172) 23.932 11.883 ( -9.531 0.000 13.818) 16.786 12.427 ( 3.643 0.000 -0.277) 3.654 12.566 ( -2.712 0.000 -0.122) 2.715 13.285 ( 6.521 0.000 -9.726) 11.710 13.506 ( -4.577 0.000 -12.149) 12.982 14.024 ( 1.274 0.000 -9.496) 9.581 14.113 ( -2.275 0.000 -10.726) 10.965 ======================= Grid point 500 (156/300) ======================= q-point: (-0.50 0.00 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.230 ( -8.608 0.000 -7.666) 11.527 5.230 ( 8.608 0.000 -7.666) 11.527 6.516 ( -3.987 0.000 5.631) 6.899 6.516 ( 3.987 0.000 5.631) 6.899 8.692 ( -0.240 0.000 15.445) 15.447 8.692 ( 0.240 0.000 15.445) 15.447 9.632 ( -9.457 0.000 18.173) 20.486 9.632 ( 9.457 0.000 18.173) 20.486 10.155 ( -9.631 0.000 26.310) 28.018 10.155 ( 9.631 0.000 26.310) 28.018 11.673 ( -10.952 0.000 18.768) 21.730 11.673 ( 10.952 0.000 18.768) 21.730 12.502 ( -3.527 0.000 0.114) 3.528 12.502 ( 3.527 0.000 0.114) 3.528 13.406 ( -5.387 0.000 -11.109) 12.346 13.406 ( 5.387 0.000 -11.109) 12.346 14.064 ( -2.393 0.000 -10.953) 11.211 14.064 ( 2.393 0.000 -10.953) 11.211 ======================= Grid point 506 (157/300) ======================= q-point: ( 0.00 0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.137 ( 0.000 30.195 26.727) 40.325 5.366 ( 0.000 11.947 33.471) 35.539 7.127 ( 0.000 7.198 52.739) 53.228 8.205 ( 0.000 -4.503 3.228) 5.540 8.373 ( 0.000 -8.753 12.498) 15.258 8.510 ( 0.000 -13.718 15.622) 20.790 9.190 ( 0.000 13.031 18.603) 22.713 9.469 ( 0.000 -1.255 4.972) 5.128 10.156 ( 0.000 -7.492 13.842) 15.739 10.569 ( 0.000 -5.961 14.907) 16.054 10.839 ( 0.000 9.307 16.769) 19.179 12.140 ( 0.000 2.168 -5.286) 5.713 12.427 ( 0.000 1.017 -7.082) 7.155 12.543 ( 0.000 -7.704 -5.374) 9.393 12.965 ( 0.000 8.202 -5.672) 9.972 13.707 ( 0.000 -4.056 -13.884) 14.464 14.146 ( 0.000 -2.025 -1.033) 2.273 14.162 ( 0.000 -1.604 -4.892) 5.148 ======================= Grid point 507 (158/300) ======================= q-point: ( 0.10 0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( 9.918 29.065 24.607) 39.352 5.107 ( -20.127 12.083 34.016) 41.330 7.360 ( 15.624 6.506 39.030) 42.541 8.215 ( 2.569 -0.492 9.369) 9.727 8.333 ( -3.242 -12.101 11.999) 17.347 8.564 ( 4.406 -12.959 17.301) 22.061 9.151 ( -4.304 6.943 15.257) 17.306 9.290 ( -14.540 4.021 7.742) 16.956 10.182 ( 2.454 -7.942 14.287) 16.529 10.573 ( -0.981 -5.574 14.435) 15.504 10.906 ( 6.627 9.416 18.652) 21.920 12.142 ( -0.047 1.368 -4.724) 4.918 12.402 ( -2.038 0.168 -3.879) 4.386 12.567 ( 1.793 -5.782 -6.289) 8.729 12.991 ( 2.568 7.521 -5.544) 9.690 13.687 ( -1.827 -3.936 -13.529) 14.208 14.117 ( -2.488 -1.411 -1.547) 3.252 14.162 ( -0.074 -1.535 -5.656) 5.861 ======================= Grid point 508 (159/300) ======================= q-point: ( 0.20 0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.513 ( 15.054 25.173 20.112) 35.564 4.753 ( -10.373 13.254 26.974) 31.794 7.457 ( -8.096 4.293 7.287) 11.708 8.202 ( -11.767 -8.052 5.549) 15.300 8.413 ( 12.097 4.031 26.451) 29.364 8.621 ( 1.069 -13.917 21.651) 25.760 8.967 ( -5.383 -1.500 9.662) 11.162 9.146 ( 0.324 4.523 18.405) 18.955 10.227 ( 0.762 -8.711 16.882) 19.012 10.522 ( -3.229 -0.012 14.657) 15.009 11.079 ( 9.599 7.134 20.770) 23.967 12.124 ( -2.168 -0.421 -1.020) 2.433 12.364 ( -1.112 0.395 -0.019) 1.181 12.598 ( 0.918 -3.126 -5.626) 6.501 13.066 ( 4.691 5.389 -5.958) 9.303 13.637 ( -3.020 -3.485 -12.720) 13.530 14.062 ( -2.524 -0.179 -3.643) 4.436 14.157 ( -0.467 -1.249 -7.257) 7.379 ======================= Grid point 509 (160/300) ======================= q-point: ( 0.30 0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( 6.407 10.701 16.604) 20.767 4.945 ( 19.884 23.511 9.619) 32.260 7.141 ( -20.168 2.497 0.145) 20.323 7.735 ( -31.002 5.609 -3.985) 31.756 8.484 ( 0.709 -12.288 17.388) 21.304 8.723 ( 0.862 -0.749 24.915) 24.941 9.047 ( 11.048 -9.955 16.699) 22.362 9.310 ( 15.125 1.098 24.329) 28.668 10.176 ( -5.567 -7.556 20.589) 22.627 10.467 ( -2.515 4.126 16.329) 17.029 11.280 ( 10.048 5.410 21.664) 24.486 12.040 ( -6.032 -0.835 7.456) 9.627 12.371 ( 1.756 0.498 0.109) 1.828 12.596 ( -1.049 -1.299 -3.165) 3.579 13.176 ( 5.925 2.701 -7.521) 9.949 13.570 ( -3.517 -2.592 -11.919) 12.694 14.027 ( -0.751 0.735 -6.742) 6.823 14.140 ( -1.216 -0.809 -9.004) 9.122 ======================= Grid point 510 (161/300) ======================= q-point: ( 0.40 0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.929 ( 20.587 8.390 2.738) 22.399 5.322 ( 14.196 20.047 -0.752) 24.576 6.725 ( -17.838 1.932 3.403) 18.262 7.085 ( -30.175 12.570 -1.770) 32.737 8.517 ( 2.398 -13.593 15.792) 20.974 8.664 ( -4.427 -5.947 16.539) 18.125 9.304 ( 12.994 -9.367 19.207) 25.010 9.602 ( 8.354 -3.064 21.622) 23.382 10.072 ( -1.115 -0.851 25.448) 25.486 10.382 ( -6.482 4.403 20.210) 21.676 11.488 ( 10.357 4.002 21.313) 24.032 11.888 ( -8.648 0.544 14.891) 17.228 12.426 ( 3.336 -0.128 -0.080) 3.340 12.558 ( -2.581 -0.694 -1.036) 2.867 13.297 ( 5.776 0.751 -9.198) 10.887 13.494 ( -3.963 -1.487 -11.192) 11.966 14.032 ( 1.088 0.870 -9.366) 9.469 14.108 ( -1.957 -0.238 -10.303) 10.490 ======================= Grid point 511 (162/300) ======================= q-point: (-0.50 0.11 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.340 ( -14.284 10.743 -6.459) 19.004 5.340 ( 14.284 10.743 -6.459) 19.004 6.623 ( -11.426 10.561 4.990) 16.340 6.623 ( 11.426 10.561 4.990) 16.340 8.579 ( -3.691 -10.837 15.168) 19.003 8.579 ( 3.691 -10.837 15.168) 19.003 9.549 ( -10.079 -8.067 18.607) 22.647 9.549 ( 10.079 -8.067 18.607) 22.647 10.203 ( -10.338 4.340 25.135) 27.522 10.203 ( 10.338 4.340 25.135) 27.522 11.697 ( -10.027 2.350 19.297) 21.873 11.697 ( 10.027 2.350 19.297) 21.873 12.496 ( -3.415 -0.533 -0.142) 3.459 12.496 ( 3.415 -0.533 -0.142) 3.459 13.406 ( -4.812 -0.451 -10.363) 11.435 13.406 ( 4.812 -0.451 -10.363) 11.435 14.065 ( -2.049 0.408 -10.579) 10.783 14.065 ( 2.049 0.408 -10.579) 10.783 ======================= Grid point 517 (163/300) ======================= q-point: ( 0.00 0.22 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.882 ( 0.000 41.019 20.487) 45.850 5.694 ( 0.000 20.104 31.156) 37.080 7.359 ( 0.000 16.226 48.897) 51.519 7.902 ( 0.000 -21.599 19.877) 29.353 8.134 ( 0.000 -14.442 14.496) 20.462 8.463 ( 0.000 4.964 0.331) 4.975 9.380 ( 0.000 5.648 18.529) 19.371 9.411 ( 0.000 -5.285 2.681) 5.926 9.995 ( 0.000 -7.003 17.980) 19.296 10.417 ( 0.000 -9.509 15.672) 18.331 11.073 ( 0.000 13.812 17.957) 22.654 12.130 ( 0.000 -4.820 -2.266) 5.326 12.442 ( 0.000 -0.503 -3.385) 3.422 12.457 ( 0.000 2.001 -7.591) 7.851 13.137 ( 0.000 8.158 -8.190) 11.560 13.574 ( 0.000 -8.982 -14.701) 17.228 14.087 ( 0.000 -3.563 -0.326) 3.577 14.137 ( 0.000 -0.729 -4.188) 4.251 ======================= Grid point 518 (164/300) ======================= q-point: ( 0.10 0.22 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.966 ( 8.078 40.170 18.917) 45.130 5.447 ( -19.368 21.621 31.845) 43.090 7.555 ( 11.934 12.644 34.552) 38.680 7.932 ( 2.733 -21.742 20.553) 30.043 8.127 ( 0.553 -12.865 14.447) 19.353 8.489 ( 3.762 5.013 7.771) 9.984 9.161 ( -13.258 -4.207 7.493) 15.799 9.411 ( -7.487 5.508 13.493) 16.385 10.009 ( 2.338 -7.797 18.097) 19.843 10.443 ( 1.978 -8.099 15.624) 17.709 11.126 ( 4.909 12.505 18.665) 22.997 12.122 ( -0.963 -4.597 -0.056) 4.697 12.408 ( -1.681 1.376 -3.365) 4.005 12.502 ( 2.727 -0.003 -7.116) 7.621 13.148 ( 1.014 7.195 -7.780) 10.646 13.561 ( -1.239 -8.496 -13.858) 16.303 14.073 ( -1.152 -2.788 -1.427) 3.337 14.140 ( 0.219 -0.436 -4.638) 4.663 ======================= Grid point 519 (165/300) ======================= q-point: ( 0.20 0.22 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.084 ( -12.926 24.625 27.370) 39.021 5.202 ( 14.286 36.229 14.343) 41.502 7.577 ( -11.021 7.527 6.992) 15.067 7.896 ( -3.554 -21.496 11.620) 24.692 8.329 ( 14.423 -14.134 26.849) 33.595 8.536 ( -4.688 5.002 10.516) 12.553 8.979 ( -0.771 2.739 12.651) 12.967 9.174 ( -10.522 -0.177 17.877) 20.744 10.061 ( 1.394 -6.891 20.247) 21.433 10.485 ( 2.011 -4.063 15.247) 15.906 11.255 ( 7.472 10.051 19.939) 23.546 12.087 ( -2.581 -3.756 5.659) 7.266 12.384 ( -0.572 1.871 -1.684) 2.582 12.554 ( 2.062 -0.684 -7.277) 7.594 13.174 ( 1.476 4.205 -6.950) 8.256 13.528 ( -1.864 -7.145 -12.012) 14.100 14.051 ( -0.813 -0.836 -4.011) 4.177 14.143 ( 0.056 0.215 -6.027) 6.031 ======================= Grid point 520 (166/300) ======================= q-point: ( 0.30 0.22 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.976 ( 3.184 22.267 16.985) 28.186 5.537 ( 17.445 34.353 7.374) 39.228 7.207 ( -22.146 3.377 1.751) 22.471 7.790 ( -11.390 -4.461 0.606) 12.248 8.238 ( -10.709 -8.242 10.481) 17.101 8.651 ( 5.490 -8.437 27.829) 29.593 8.834 ( -4.203 -8.912 10.166) 14.157 9.317 ( 14.905 0.367 24.995) 29.104 10.053 ( -1.168 -4.147 23.542) 23.933 10.511 ( 0.048 0.175 15.898) 15.900 11.419 ( 8.458 8.060 21.037) 24.064 12.015 ( -4.501 -1.834 12.435) 13.351 12.389 ( 1.134 1.481 -0.426) 1.913 12.575 ( -0.217 -0.536 -5.768) 5.797 13.214 ( 2.630 0.046 -6.852) 7.339 13.487 ( -2.254 -5.643 -10.315) 11.972 14.046 ( 0.355 1.192 -6.895) 7.007 14.139 ( -0.531 1.029 -7.712) 7.798 ======================= Grid point 521 (167/300) ======================= q-point: ( 0.40 0.22 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.204 ( 18.118 18.679 5.327) 26.562 5.822 ( 5.962 28.616 -2.500) 29.337 6.810 ( -11.551 6.270 5.417) 14.216 7.385 ( -24.626 15.958 -3.638) 29.569 8.183 ( 2.956 -18.683 15.860) 24.684 8.489 ( -11.008 -10.349 16.064) 22.053 9.043 ( 14.517 -16.376 18.660) 28.760 9.484 ( -1.141 -8.796 19.471) 21.396 10.103 ( 7.741 4.061 26.656) 28.053 10.464 ( -5.025 3.320 18.529) 19.483 11.593 ( 8.562 6.236 21.583) 24.043 11.905 ( -6.276 0.990 17.784) 18.885 12.428 ( 2.592 0.585 -0.071) 2.658 12.546 ( -2.380 -0.248 -3.215) 4.008 13.282 ( 3.885 -3.044 -7.599) 9.062 13.434 ( -3.035 -4.795 -9.145) 10.763 14.063 ( 1.250 2.357 -8.931) 9.321 14.121 ( -1.211 1.875 -9.069) 9.340 ======================= Grid point 522 (168/300) ======================= q-point: (-0.50 0.22 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.632 ( -20.631 17.692 -3.508) 27.404 5.632 ( 20.631 17.692 -3.508) 27.404 6.916 ( -18.719 17.808 3.114) 26.024 6.916 ( 18.719 17.808 3.114) 26.024 8.296 ( -7.705 -16.358 15.063) 23.534 8.296 ( 7.705 -16.358 15.063) 23.534 9.324 ( -12.227 -14.245 18.528) 26.376 9.324 ( 12.227 -14.245 18.528) 26.376 10.307 ( -10.039 5.650 22.969) 25.695 10.307 ( 10.039 5.650 22.969) 25.695 11.761 ( -7.770 3.888 20.765) 22.510 11.761 ( 7.770 3.888 20.765) 22.510 12.488 ( -3.122 -0.038 -1.074) 3.301 12.488 ( 3.122 -0.038 -1.074) 3.301 13.363 ( -3.882 -4.310 -8.351) 10.168 13.363 ( 3.882 -4.310 -8.351) 10.168 14.092 ( -1.527 2.469 -9.619) 10.047 14.092 ( 1.527 2.469 -9.619) 10.047 ======================= Grid point 528 (169/300) ======================= q-point: ( 0.00 0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.656 ( 0.000 34.854 17.948) 39.204 6.127 ( 0.000 22.004 27.475) 35.200 7.462 ( 0.000 -21.299 22.411) 30.918 7.639 ( 0.000 -3.758 30.434) 30.665 7.966 ( 0.000 13.484 27.439) 30.573 8.602 ( 0.000 8.338 0.163) 8.339 9.247 ( 0.000 -10.682 2.380) 10.944 9.391 ( 0.000 -5.589 17.662) 18.525 9.915 ( 0.000 -1.109 20.464) 20.494 10.200 ( 0.000 -11.401 19.620) 22.692 11.364 ( 0.000 14.554 17.865) 23.043 11.981 ( 0.000 -8.583 4.940) 9.903 12.496 ( 0.000 4.104 -5.500) 6.862 12.506 ( 0.000 2.846 -8.061) 8.548 13.250 ( 0.000 2.354 -12.044) 12.271 13.380 ( 0.000 -9.373 -16.127) 18.653 14.030 ( 0.000 -1.310 0.844) 1.558 14.126 ( 0.000 -0.766 -2.952) 3.050 ======================= Grid point 529 (170/300) ======================= q-point: ( 0.10 0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.702 ( 2.946 31.296 18.181) 36.314 5.965 ( -11.272 29.701 26.134) 41.136 7.448 ( -1.036 -22.124 20.314) 30.053 7.762 ( 9.547 -15.099 25.283) 30.957 7.947 ( -3.917 14.791 19.061) 24.442 8.668 ( 5.960 11.516 8.326) 15.410 9.005 ( -12.949 -10.550 8.243) 18.626 9.468 ( -3.100 -0.499 13.442) 13.803 9.909 ( 1.587 -2.156 20.873) 21.044 10.243 ( 3.927 -11.515 19.040) 22.595 11.389 ( 2.507 13.274 18.112) 22.595 11.982 ( 0.065 -8.153 6.784) 10.606 12.467 ( -1.501 3.902 -5.397) 6.827 12.536 ( 1.680 2.561 -7.295) 7.912 13.236 ( -1.369 0.864 -11.341) 11.456 13.380 ( -0.050 -8.548 -14.865) 17.148 14.034 ( 0.447 -0.422 -0.378) 0.722 14.135 ( 0.851 -0.423 -3.399) 3.529 ======================= Grid point 530 (171/300) ======================= q-point: ( 0.20 0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.594 ( -9.932 27.104 23.142) 36.998 5.975 ( 10.758 37.905 13.954) 41.799 7.415 ( -3.757 -25.117 14.420) 29.204 7.724 ( -11.795 3.707 9.129) 15.369 8.022 ( 11.791 -13.309 20.071) 26.814 8.545 ( -15.939 -6.380 1.457) 17.230 9.071 ( 15.251 7.660 24.482) 29.844 9.230 ( -17.989 5.780 13.524) 23.236 9.965 ( 2.426 -2.723 22.311) 22.607 10.352 ( 6.370 -9.210 17.630) 20.885 11.466 ( 5.025 10.732 18.880) 22.291 11.979 ( -0.407 -6.538 11.406) 13.153 12.442 ( -0.856 3.820 -3.386) 5.176 12.567 ( 1.263 1.439 -7.246) 7.495 13.198 ( -2.107 -1.704 -9.007) 9.406 13.375 ( -0.628 -7.726 -12.286) 14.527 14.052 ( 1.370 1.459 -3.128) 3.714 14.155 ( 0.997 0.475 -4.763) 4.889 ======================= Grid point 531 (172/300) ======================= q-point: ( 0.30 0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.490 ( 0.965 28.424 15.772) 32.521 6.252 ( 14.802 35.859 7.248) 39.465 7.166 ( -19.007 -12.411 3.765) 23.011 7.619 ( 1.684 -4.214 12.818) 13.598 8.108 ( -13.433 -10.579 -1.763) 17.189 8.373 ( 9.716 -16.501 20.568) 28.102 8.807 ( -22.304 6.367 14.106) 27.148 9.318 ( 5.452 -1.446 21.401) 22.132 10.031 ( 5.941 2.471 25.361) 26.165 10.468 ( 4.224 -4.593 17.007) 18.115 11.586 ( 6.583 8.455 20.241) 22.902 11.962 ( -1.389 -3.528 16.865) 17.286 12.436 ( 0.360 3.350 -1.385) 3.643 12.580 ( -0.154 0.866 -6.962) 7.017 13.165 ( -0.708 -4.099 -6.240) 7.499 13.351 ( -1.775 -7.842 -9.628) 12.544 14.087 ( 1.910 2.992 -5.937) 6.917 14.171 ( 0.459 1.591 -6.515) 6.722 ======================= Grid point 532 (173/300) ======================= q-point: ( 0.40 0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.644 ( 13.737 24.611 6.690) 28.969 6.394 ( -9.532 26.416 -3.000) 28.243 6.926 ( 5.220 3.286 6.417) 8.901 7.631 ( -10.179 7.140 -2.605) 12.703 7.833 ( -1.790 -15.662 13.406) 20.693 8.362 ( -20.062 1.791 16.934) 26.315 8.669 ( 15.880 -20.650 18.241) 31.801 9.258 ( -9.694 -13.626 17.860) 24.467 10.218 ( 10.811 6.946 24.655) 27.802 10.501 ( -1.311 0.118 17.882) 17.930 11.722 ( 6.467 6.333 21.990) 23.780 11.919 ( -2.935 0.161 21.140) 21.343 12.458 ( 1.774 2.610 -1.103) 3.343 12.557 ( -2.083 1.285 -5.536) 6.053 13.179 ( 1.981 -6.408 -4.960) 8.342 13.302 ( -2.938 -8.086 -7.233) 11.239 14.125 ( 1.757 3.591 -7.860) 8.818 14.172 ( -0.393 2.633 -7.949) 8.383 ======================= Grid point 533 (174/300) ======================= q-point: (-0.50 0.33 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.012 ( -21.198 19.582 -0.347) 28.860 6.012 ( 21.198 19.582 -0.347) 28.860 7.255 ( -20.646 12.237 -0.215) 24.001 7.255 ( 20.646 12.237 -0.215) 24.001 8.011 ( -14.019 -8.123 16.541) 23.154 8.011 ( 14.019 -8.123 16.541) 23.154 8.993 ( -15.296 -18.703 17.694) 29.948 8.993 ( 15.296 -18.703 17.694) 29.948 10.411 ( -7.352 4.488 20.740) 22.457 10.411 ( 7.352 4.488 20.740) 22.457 11.840 ( -4.916 3.620 22.834) 23.636 11.840 ( 4.916 3.620 22.834) 23.636 12.505 ( -2.683 1.920 -3.039) 4.486 12.505 ( 2.683 1.920 -3.039) 4.486 13.236 ( -3.343 -7.777 -5.491) 10.090 13.236 ( 3.343 -7.777 -5.491) 10.090 14.155 ( -1.191 3.379 -8.519) 9.242 14.155 ( 1.191 3.379 -8.519) 9.242 ======================= Grid point 539 (175/300) ======================= q-point: ( 0.00 0.44 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.239 ( 0.000 23.152 18.913) 29.895 6.464 ( 0.000 5.895 21.827) 22.609 7.143 ( 0.000 -5.531 24.683) 25.295 7.330 ( 0.000 -17.905 23.527) 29.565 8.522 ( 0.000 31.983 25.999) 41.218 8.785 ( 0.000 9.624 0.296) 9.628 9.019 ( 0.000 -11.359 4.030) 12.053 9.112 ( 0.000 -22.340 21.188) 30.790 9.932 ( 0.000 2.438 21.412) 21.550 10.015 ( 0.000 -6.426 22.163) 23.076 11.623 ( 0.000 11.096 15.988) 19.461 11.812 ( 0.000 -8.472 11.222) 14.061 12.561 ( 0.000 2.089 -7.627) 7.908 12.563 ( 0.000 2.011 -6.646) 6.944 13.239 ( 0.000 -1.972 -15.723) 15.846 13.243 ( 0.000 -3.564 -17.171) 17.537 14.046 ( 0.000 2.370 0.520) 2.427 14.097 ( 0.000 -2.216 -1.216) 2.528 ======================= Grid point 540 (176/300) ======================= q-point: ( 0.10 0.44 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.232 ( -1.980 22.477 19.725) 29.971 6.448 ( 0.198 9.720 19.730) 21.996 7.109 ( -2.708 -4.573 23.019) 23.625 7.364 ( 3.332 -21.023 22.705) 31.122 8.333 ( -13.066 19.529 11.120) 25.995 8.680 ( -17.317 -14.409 3.224) 22.757 9.023 ( 13.946 16.243 18.455) 28.265 9.344 ( 8.066 -12.644 15.102) 21.284 9.918 ( -0.117 2.973 21.824) 22.026 10.030 ( 1.941 -8.520 22.120) 23.783 11.631 ( 0.941 10.686 16.218) 19.444 11.818 ( 0.560 -8.442 12.215) 14.859 12.543 ( -0.986 3.284 -6.311) 7.182 12.574 ( 0.426 0.523 -6.615) 6.649 13.211 ( -1.948 -1.049 -14.978) 15.141 13.249 ( -0.220 -4.590 -15.361) 16.034 14.061 ( 1.489 2.619 -0.515) 3.056 14.112 ( 1.412 -2.011 -1.910) 3.112 ======================= Grid point 541 (177/300) ======================= q-point: ( 0.20 0.44 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.143 ( -5.223 27.056 19.134) 33.547 6.518 ( 5.948 3.091 15.210) 16.621 7.058 ( -1.909 2.396 17.759) 18.022 7.459 ( 5.451 -23.876 19.292) 31.177 8.067 ( -11.839 11.611 5.158) 17.366 8.327 ( -16.675 -13.376 2.108) 21.481 9.255 ( 5.125 8.282 20.020) 22.263 9.325 ( -8.688 1.725 14.635) 17.106 9.971 ( 5.616 4.219 23.390) 24.422 10.138 ( 8.878 -11.179 21.505) 25.812 11.669 ( 2.899 9.379 17.322) 19.910 11.838 ( 1.440 -7.674 14.956) 16.871 12.525 ( -0.725 4.095 -4.369) 6.032 12.580 ( 0.189 -0.898 -5.620) 5.694 13.164 ( -2.609 0.161 -11.470) 11.764 13.232 ( -1.425 -6.112 -12.410) 13.906 14.102 ( 2.357 2.933 -2.892) 4.746 14.148 ( 1.955 -1.386 -3.665) 4.379 ======================= Grid point 542 (178/300) ======================= q-point: ( 0.30 0.44 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.079 ( -0.173 30.026 13.628) 32.975 6.634 ( 3.559 -20.286 11.220) 23.454 7.035 ( -0.313 25.160 7.008) 26.119 7.541 ( 1.890 -16.046 13.606) 21.123 7.893 ( -7.556 -0.012 1.427) 7.689 8.073 ( -3.016 -13.254 11.179) 17.599 9.012 ( -18.920 11.921 15.089) 26.977 9.222 ( -9.245 -8.251 17.124) 21.137 10.150 ( 10.954 8.663 23.850) 27.638 10.333 ( 8.855 -8.639 20.001) 23.518 11.746 ( 4.405 7.313 19.640) 21.415 11.873 ( 1.835 -5.422 18.920) 19.767 12.517 ( 0.040 4.378 -2.867) 5.233 12.583 ( 0.001 -1.469 -5.407) 5.603 13.112 ( -2.265 0.280 -7.028) 7.389 13.193 ( -2.328 -7.074 -8.706) 11.457 14.150 ( 2.231 2.837 -5.375) 6.474 14.185 ( 1.529 -0.470 -5.688) 5.908 ======================= Grid point 543 (179/300) ======================= q-point: ( 0.40 0.44 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.151 ( 7.180 25.362 6.565) 27.164 6.583 ( -8.766 -13.642 3.457) 16.580 7.084 ( 6.079 19.235 1.879) 20.260 7.492 ( -9.209 -19.237 2.783) 21.508 7.830 ( 7.784 15.844 11.433) 21.032 8.226 ( 12.828 -21.885 13.505) 28.738 8.595 ( -20.406 16.848 17.587) 31.774 8.948 ( -16.469 -17.245 16.546) 29.024 10.358 ( 8.520 6.604 21.421) 23.980 10.465 ( 3.699 -3.739 18.804) 19.525 11.834 ( 3.888 4.636 22.705) 23.497 11.901 ( 0.677 -2.095 22.857) 22.963 12.528 ( 1.019 3.903 -3.552) 5.375 12.577 ( -0.671 -0.270 -6.186) 6.228 13.082 ( -0.464 -1.649 -3.255) 3.678 13.142 ( -2.594 -6.852 -4.927) 8.829 14.188 ( 1.450 2.314 -7.158) 7.661 14.207 ( 0.581 0.538 -7.243) 7.286 ======================= Grid point 544 (180/300) ======================= q-point: (-0.50 0.44 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.353 ( -11.879 11.921 1.648) 16.909 6.353 ( 11.879 11.921 1.648) 16.909 7.265 ( -10.961 -6.476 1.207) 12.788 7.265 ( 10.961 -6.476 1.207) 12.788 8.131 ( -18.682 16.559 12.510) 27.923 8.131 ( 18.682 16.559 12.510) 27.923 8.596 ( -16.955 -19.913 18.507) 32.039 8.596 ( 16.955 -19.913 18.507) 32.039 10.475 ( -2.704 1.704 19.181) 19.445 10.475 ( 2.704 1.704 19.181) 19.445 11.892 ( -1.682 1.424 24.473) 24.572 11.892 ( 1.682 1.424 24.473) 24.572 12.555 ( -1.396 2.204 -5.673) 6.244 12.555 ( 1.396 2.204 -5.673) 6.244 13.096 ( -1.690 -4.825 -2.448) 5.668 13.096 ( 1.690 -4.825 -2.448) 5.668 14.208 ( -0.461 1.503 -7.817) 7.973 14.208 ( 0.461 1.503 -7.817) 7.973 ======================= Grid point 594 (181/300) ======================= q-point: ( 0.00 0.00 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( 0.000 0.000 26.142) 26.142 5.781 ( 0.000 0.000 19.917) 19.917 8.032 ( 0.000 0.000 45.536) 45.536 8.203 ( 0.000 0.000 2.183) 2.183 8.666 ( 0.000 0.000 8.650) 8.650 9.030 ( 0.000 0.000 5.263) 5.263 9.441 ( 0.000 0.000 29.499) 29.499 9.543 ( 0.000 0.000 1.247) 1.247 10.481 ( 0.000 0.000 11.942) 11.942 10.929 ( 0.000 0.000 9.350) 9.350 10.937 ( 0.000 0.000 9.054) 9.054 11.992 ( 0.000 0.000 -7.110) 7.110 12.287 ( 0.000 0.000 -6.214) 6.214 12.478 ( 0.000 0.000 -8.145) 8.145 12.801 ( 0.000 0.000 -2.404) 2.404 13.479 ( 0.000 0.000 -13.076) 13.076 14.100 ( 0.000 0.000 -3.236) 3.236 14.131 ( 0.000 0.000 -2.207) 2.207 ======================= Grid point 595 (182/300) ======================= q-point: ( 0.10 0.00 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 6.773 0.000 23.963) 24.902 5.548 ( -20.090 0.000 22.070) 29.845 7.776 ( -14.549 0.000 11.045) 18.266 8.573 ( 22.321 0.000 29.903) 37.315 8.605 ( -8.013 0.000 5.352) 9.636 9.068 ( 4.809 0.000 7.314) 8.753 9.334 ( -13.062 0.000 4.370) 13.773 9.461 ( -1.158 0.000 27.375) 27.399 10.519 ( 3.782 0.000 12.210) 12.782 10.890 ( -3.772 0.000 10.215) 10.890 11.079 ( 11.574 0.000 10.341) 15.521 11.999 ( 0.657 0.000 -7.270) 7.300 12.297 ( 1.099 0.000 -5.430) 5.540 12.499 ( 1.903 0.000 -7.249) 7.495 12.832 ( 2.858 0.000 -2.762) 3.975 13.461 ( -1.731 0.000 -12.983) 13.098 14.085 ( -1.397 0.000 -3.821) 4.069 14.096 ( -3.278 0.000 -2.029) 3.855 ======================= Grid point 596 (183/300) ======================= q-point: ( 0.20 0.00 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.630 ( 11.527 0.000 17.940) 21.324 5.105 ( -20.294 0.000 20.441) 28.805 7.460 ( -16.824 0.000 0.610) 16.835 8.237 ( -28.120 0.000 -3.916) 28.391 8.876 ( 5.968 0.000 17.378) 18.375 9.133 ( -5.045 0.000 10.687) 11.817 9.335 ( 21.449 0.000 23.899) 32.112 9.478 ( 2.921 0.000 25.839) 26.003 10.620 ( 5.471 0.000 13.680) 14.733 10.783 ( -6.500 0.000 12.532) 14.117 11.327 ( 11.873 0.000 11.659) 16.640 12.016 ( 0.958 0.000 -7.092) 7.156 12.334 ( 2.576 0.000 -2.729) 3.753 12.547 ( 2.486 0.000 -4.557) 5.191 12.907 ( 4.333 0.000 -4.075) 5.948 13.412 ( -3.019 0.000 -12.755) 13.107 14.010 ( -4.747 0.000 -2.245) 5.251 14.044 ( -2.596 0.000 -5.445) 6.032 ======================= Grid point 597 (184/300) ======================= q-point: ( 0.30 0.00 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.817 ( -6.646 0.000 11.248) 13.065 4.883 ( 12.566 0.000 9.050) 15.486 7.100 ( -18.002 0.000 -0.536) 18.010 7.568 ( -34.978 0.000 -6.253) 35.533 8.929 ( 0.977 0.000 11.717) 11.757 9.070 ( -2.379 0.000 14.795) 14.985 9.589 ( 7.896 0.000 21.631) 23.027 9.782 ( 19.996 0.000 26.900) 33.518 10.635 ( -7.613 0.000 15.658) 17.410 10.713 ( 3.001 0.000 15.743) 16.026 11.550 ( 10.116 0.000 11.142) 15.049 12.028 ( -0.090 0.000 -5.249) 5.250 12.403 ( 4.098 0.000 1.909) 4.521 12.589 ( 1.475 0.000 -0.525) 1.566 13.000 ( 4.671 0.000 -6.567) 8.059 13.343 ( -3.614 0.000 -12.432) 12.947 13.918 ( -3.934 0.000 -4.044) 5.642 13.982 ( -3.397 0.000 -7.654) 8.374 ======================= Grid point 598 (185/300) ======================= q-point: ( 0.40 0.00 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.848 ( 8.709 0.000 -1.358) 8.814 5.093 ( 6.294 0.000 -1.908) 6.577 6.762 ( -14.005 0.000 2.306) 14.193 6.915 ( -26.372 0.000 -1.640) 26.422 8.945 ( 0.944 0.000 11.978) 12.015 9.020 ( -2.501 0.000 14.839) 15.048 9.783 ( 10.685 0.000 19.413) 22.160 10.068 ( 5.556 0.000 21.483) 22.190 10.524 ( -0.812 0.000 19.886) 19.902 10.721 ( -2.495 0.000 18.118) 18.289 11.742 ( 8.768 0.000 8.617) 12.294 11.999 ( -3.077 0.000 -1.016) 3.241 12.492 ( 4.353 0.000 6.026) 7.433 12.600 ( -0.511 0.000 3.705) 3.740 13.095 ( 4.614 0.000 -9.397) 10.469 13.268 ( -3.844 0.000 -11.934) 12.537 13.861 ( -1.461 0.000 -7.171) 7.318 13.913 ( -3.244 0.000 -9.511) 10.049 ======================= Grid point 599 (186/300) ======================= q-point: (-0.50 0.00 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.067 ( -8.909 0.000 -8.696) 12.450 5.067 ( 8.909 0.000 -8.696) 12.450 6.613 ( -2.107 0.000 4.269) 4.761 6.613 ( 2.107 0.000 4.269) 4.761 8.974 ( -1.909 0.000 13.441) 13.576 8.974 ( 1.909 0.000 13.441) 13.576 9.997 ( -9.286 0.000 18.559) 20.752 9.997 ( 9.286 0.000 18.559) 20.752 10.618 ( -6.892 0.000 20.623) 21.744 10.618 ( 6.892 0.000 20.623) 21.744 11.900 ( -6.512 0.000 4.294) 7.800 11.900 ( 6.512 0.000 4.294) 7.800 12.567 ( -2.766 0.000 6.547) 7.107 12.567 ( 2.766 0.000 6.547) 7.107 13.186 ( -4.255 0.000 -11.127) 11.913 13.186 ( 4.255 0.000 -11.127) 11.913 13.862 ( -1.453 0.000 -9.556) 9.666 13.862 ( 1.453 0.000 -9.556) 9.666 ======================= Grid point 605 (187/300) ======================= q-point: ( 0.00 0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( 0.000 24.844 23.546) 34.229 5.896 ( 0.000 11.240 20.003) 22.945 8.081 ( 0.000 5.121 44.453) 44.747 8.241 ( 0.000 3.361 3.082) 4.560 8.595 ( 0.000 -7.134 9.722) 12.059 8.779 ( 0.000 -18.678 10.532) 21.443 9.518 ( 0.000 -2.528 0.724) 2.630 9.606 ( 0.000 10.443 23.089) 25.341 10.425 ( 0.000 -5.007 12.933) 13.868 10.815 ( 0.000 -5.591 10.083) 11.530 11.095 ( 0.000 9.903 8.757) 13.219 12.020 ( 0.000 2.303 -7.099) 7.463 12.292 ( 0.000 0.610 -6.453) 6.482 12.426 ( 0.000 -4.144 -6.279) 7.523 12.870 ( 0.000 5.880 -3.931) 7.073 13.440 ( 0.000 -4.284 -13.029) 13.715 14.084 ( 0.000 -1.173 -3.024) 3.243 14.116 ( 0.000 -1.508 -1.936) 2.454 ======================= Grid point 606 (188/300) ======================= q-point: ( 0.10 0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.695 ( 6.156 24.287 21.620) 33.093 5.664 ( -20.011 11.359 22.120) 31.918 7.827 ( -14.409 4.976 10.870) 18.723 8.522 ( -7.161 -9.013 7.391) 13.680 8.615 ( 21.834 3.983 28.977) 36.501 8.842 ( 5.768 -16.444 11.845) 21.071 9.313 ( -13.640 -1.835 3.341) 14.163 9.603 ( -2.716 8.829 22.059) 23.915 10.457 ( 3.548 -5.574 13.176) 14.740 10.825 ( -0.392 -4.516 11.053) 11.947 11.189 ( 8.609 8.865 9.756) 15.744 12.028 ( 0.690 2.485 -6.946) 7.409 12.303 ( 1.121 0.599 -5.533) 5.677 12.448 ( 2.022 -4.150 -5.890) 7.484 12.898 ( 2.559 5.624 -3.990) 7.355 13.426 ( -1.294 -3.824 -12.803) 13.424 14.067 ( -1.905 -1.496 -3.685) 4.409 14.088 ( -2.357 -0.762 -1.790) 3.057 ======================= Grid point 607 (189/300) ======================= q-point: ( 0.20 0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.869 ( 10.443 22.878 16.352) 29.997 5.225 ( -20.035 11.705 20.366) 30.873 7.509 ( -17.143 4.772 0.743) 17.811 8.224 ( -23.752 -2.363 -2.150) 23.965 8.771 ( -1.710 -9.887 10.354) 14.418 9.146 ( 7.641 -9.518 13.252) 18.017 9.169 ( 9.490 0.715 27.111) 28.733 9.574 ( 3.832 3.770 24.029) 24.623 10.544 ( 3.653 -5.993 15.065) 16.620 10.792 ( -2.101 0.085 12.514) 12.689 11.394 ( 10.509 6.093 10.977) 16.372 12.045 ( 0.867 2.657 -6.189) 6.791 12.341 ( 2.636 0.709 -2.569) 3.748 12.499 ( 2.779 -4.046 -4.326) 6.543 12.964 ( 3.748 4.833 -4.462) 7.571 13.389 ( -2.274 -2.587 -12.242) 12.717 14.000 ( -4.143 -1.025 -3.307) 5.399 14.039 ( -2.523 -0.102 -4.190) 4.892 ======================= Grid point 608 (190/300) ======================= q-point: ( 0.30 0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.929 ( -6.407 11.908 12.559) 18.455 5.108 ( 10.995 20.813 7.049) 24.571 7.137 ( -18.951 3.508 -0.316) 19.276 7.630 ( -31.625 5.660 -6.191) 32.719 8.755 ( 0.552 -14.400 11.033) 18.149 9.091 ( -5.498 -0.228 14.147) 15.180 9.440 ( 11.565 -12.374 21.826) 27.627 9.818 ( 15.348 1.290 26.168) 30.364 10.555 ( -2.394 -4.872 17.743) 18.555 10.773 ( 0.086 3.134 14.465) 14.800 11.599 ( 9.587 4.561 10.508) 14.938 12.054 ( -0.221 2.581 -4.078) 4.831 12.409 ( 3.973 0.674 2.176) 4.580 12.551 ( 2.021 -3.497 -1.289) 4.240 13.043 ( 3.933 3.598 -5.927) 7.971 13.337 ( -2.828 -1.013 -11.587) 11.970 13.919 ( -3.491 0.076 -4.701) 5.856 13.981 ( -3.127 0.264 -6.782) 7.473 ======================= Grid point 609 (191/300) ======================= q-point: ( 0.40 0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.958 ( 8.757 11.170 0.280) 14.197 5.283 ( 3.860 17.936 -3.160) 18.616 6.785 ( -13.445 3.211 2.695) 14.083 7.041 ( -24.275 11.139 -2.334) 26.811 8.788 ( 2.546 -13.714 12.154) 18.501 8.966 ( -6.071 -6.402 14.433) 16.917 9.682 ( 12.129 -9.818 18.960) 24.556 10.020 ( 1.937 -5.073 20.533) 21.239 10.532 ( 2.563 1.113 21.016) 21.201 10.752 ( -2.915 2.670 17.127) 17.577 11.782 ( 8.355 3.780 8.289) 12.361 12.024 ( -2.954 2.609 -0.224) 3.947 12.493 ( 3.905 0.093 6.224) 7.348 12.575 ( 0.208 -2.392 2.819) 3.704 13.124 ( 3.979 2.288 -8.231) 9.425 13.275 ( -3.267 0.318 -10.930) 11.412 13.869 ( -1.252 0.865 -7.337) 7.493 13.917 ( -2.972 0.770 -8.830) 9.348 ======================= Grid point 610 (192/300) ======================= q-point: (-0.50 0.11 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.198 ( -11.304 12.693 -7.827) 18.712 5.198 ( 11.304 12.693 -7.827) 18.712 6.707 ( -7.159 9.201 3.579) 12.195 6.707 ( 7.159 9.201 3.579) 12.195 8.858 ( -4.432 -10.956 13.424) 17.885 8.858 ( 4.432 -10.956 13.424) 17.885 9.914 ( -9.909 -8.216 18.244) 22.328 9.914 ( 9.909 -8.216 18.244) 22.328 10.649 ( -6.761 2.908 20.085) 21.391 10.649 ( 6.761 2.908 20.085) 21.391 11.931 ( -6.109 3.077 4.445) 8.158 11.931 ( 6.109 3.077 4.445) 8.158 12.556 ( -2.083 -1.044 6.294) 6.711 12.556 ( 2.083 -1.044 6.294) 6.711 13.203 ( -3.786 1.268 -10.017) 10.783 13.203 ( 3.786 1.268 -10.017) 10.783 13.871 ( -1.365 1.085 -9.193) 9.357 13.871 ( 1.365 1.085 -9.193) 9.357 ======================= Grid point 616 (193/300) ======================= q-point: ( 0.00 0.22 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.264 ( 0.000 36.082 18.464) 40.532 6.201 ( 0.000 18.467 19.940) 27.177 8.217 ( 0.000 -13.106 12.901) 18.390 8.240 ( 0.000 9.536 40.300) 41.412 8.397 ( 0.000 -10.831 12.282) 16.375 8.498 ( 0.000 -1.694 3.288) 3.699 9.441 ( 0.000 -5.276 0.945) 5.360 9.759 ( 0.000 4.237 19.961) 20.406 10.321 ( 0.000 -4.459 14.846) 15.501 10.695 ( 0.000 -6.728 12.214) 13.945 11.333 ( 0.000 13.729 8.278) 16.031 12.048 ( 0.000 -0.415 -5.877) 5.891 12.312 ( 0.000 1.437 -7.000) 7.146 12.364 ( 0.000 -0.976 -4.508) 4.612 12.989 ( 0.000 4.971 -6.709) 8.350 13.298 ( 0.000 -9.776 -13.104) 16.349 14.071 ( 0.000 0.068 -2.517) 2.518 14.075 ( 0.000 -2.249 -0.901) 2.423 ======================= Grid point 617 (194/300) ======================= q-point: ( 0.10 0.22 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.317 ( 5.071 35.474 16.856) 39.600 5.981 ( -18.996 19.887 21.970) 35.200 7.964 ( -13.673 8.052 10.349) 18.944 8.227 ( -7.504 -19.054 10.129) 22.847 8.508 ( 10.632 -15.785 17.974) 26.177 8.743 ( 13.655 7.120 19.636) 24.954 9.270 ( -9.434 -2.367 5.873) 11.362 9.731 ( -6.348 3.910 18.389) 19.842 10.341 ( 3.494 -5.004 15.359) 16.527 10.725 ( 2.136 -5.844 12.739) 14.178 11.398 ( 5.885 11.834 8.883) 15.924 12.067 ( 1.697 0.580 -5.029) 5.339 12.321 ( 1.083 1.251 -5.361) 5.610 12.381 ( 1.548 -1.359 -5.190) 5.584 13.010 ( 1.835 4.458 -6.285) 7.921 13.298 ( -0.038 -8.952 -12.623) 15.475 14.038 ( -2.412 -1.260 -2.332) 3.584 14.076 ( -0.657 -0.086 -1.826) 1.942 ======================= Grid point 618 (195/300) ======================= q-point: ( 0.20 0.22 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.459 ( 7.686 32.070 11.787) 35.021 5.564 ( -18.224 24.003 21.190) 36.841 7.636 ( -18.760 7.268 0.759) 20.133 8.067 ( -10.123 -14.316 5.564) 18.395 8.562 ( -8.381 -10.178 3.543) 13.653 8.877 ( 7.924 -14.006 16.925) 23.354 9.296 ( 0.543 8.793 19.901) 21.764 9.594 ( 2.089 -0.788 23.989) 24.093 10.432 ( 3.828 -4.612 17.314) 18.322 10.768 ( 2.166 -2.757 13.206) 13.664 11.545 ( 8.026 8.560 9.330) 14.991 12.104 ( 1.670 2.545 -3.137) 4.371 12.362 ( 2.830 1.195 -1.052) 3.247 12.422 ( 2.332 -2.507 -5.742) 6.685 13.055 ( 2.382 3.057 -5.264) 6.536 13.296 ( -0.252 -6.848 -11.446) 13.341 13.982 ( -2.863 -0.269 -3.316) 4.389 14.050 ( -1.794 1.146 -3.274) 3.905 ======================= Grid point 619 (196/300) ======================= q-point: ( 0.30 0.22 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.272 ( -7.317 21.700 12.748) 26.210 5.658 ( 8.906 32.909 5.149) 34.480 7.223 ( -20.631 4.173 -0.007) 21.049 7.744 ( -20.809 4.054 -4.188) 21.610 8.425 ( -2.178 -17.251 8.588) 19.393 9.032 ( -6.086 -7.646 10.312) 14.207 9.163 ( 5.066 -11.955 23.727) 27.047 9.810 ( 9.922 -1.962 24.324) 26.343 10.483 ( 2.318 -1.924 20.078) 20.303 10.809 ( 1.434 0.371 14.040) 14.118 11.714 ( 8.422 6.538 8.722) 13.775 12.126 ( 0.217 4.228 -0.492) 4.262 12.429 ( 3.561 1.045 4.160) 5.574 12.472 ( 2.480 -3.461 -4.389) 6.115 13.103 ( 2.346 1.363 -4.520) 5.272 13.285 ( -0.920 -4.524 -10.146) 11.147 13.930 ( -2.032 1.513 -5.105) 5.699 14.006 ( -2.439 2.182 -5.529) 6.425 ======================= Grid point 620 (197/300) ======================= q-point: ( 0.40 0.22 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.281 ( 7.923 20.568 2.503) 22.183 5.750 ( -2.506 27.455 -4.628) 27.955 6.895 ( -8.067 7.258 3.302) 11.343 7.307 ( -20.532 14.245 -3.891) 25.291 8.452 ( 4.102 -18.754 12.015) 22.647 8.788 ( -12.058 -10.096 14.363) 21.298 9.412 ( 13.721 -16.729 18.398) 28.401 9.862 ( -4.649 -10.676 18.625) 21.965 10.578 ( 6.875 3.411 21.487) 22.817 10.805 ( -2.151 2.229 15.843) 16.143 11.880 ( 7.729 5.730 7.209) 12.022 12.103 ( -2.618 5.179 2.345) 6.259 12.495 ( 2.658 -0.179 7.277) 7.749 12.516 ( 1.624 -2.828 0.038) 3.262 13.153 ( 2.618 -0.107 -5.272) 5.887 13.256 ( -1.930 -2.745 -8.837) 9.452 13.905 ( -0.390 2.979 -7.236) 7.835 13.955 ( -2.405 3.050 -7.606) 8.540 ======================= Grid point 621 (198/300) ======================= q-point: (-0.50 0.22 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.540 ( -15.031 20.574 -5.654) 26.099 5.540 ( 15.031 20.574 -5.654) 26.099 6.958 ( -12.359 15.019 1.467) 19.505 6.958 ( 12.359 15.019 1.467) 19.505 8.579 ( -8.305 -15.689 13.708) 22.429 8.579 ( 8.305 -15.689 13.708) 22.429 9.679 ( -11.986 -14.999 17.426) 25.929 9.679 ( 11.986 -14.999 17.426) 25.929 10.719 ( -6.117 3.752 18.740) 20.067 10.719 ( 6.117 3.752 18.740) 20.067 12.018 ( -5.650 5.469 4.959) 9.296 12.018 ( 5.650 5.469 4.959) 9.296 12.529 ( -0.518 -1.559 5.485) 5.726 12.529 ( 0.518 -1.559 5.485) 5.726 13.208 ( -2.684 -1.389 -7.146) 7.759 13.208 ( 2.684 -1.389 -7.146) 7.759 13.915 ( -1.359 3.466 -8.354) 9.146 13.915 ( 1.359 3.466 -8.354) 9.146 ======================= Grid point 627 (199/300) ======================= q-point: ( 0.00 0.33 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.977 ( 0.000 33.716 15.012) 36.907 6.589 ( 0.000 18.988 19.065) 26.908 7.837 ( 0.000 -20.029 16.135) 25.720 8.067 ( 0.000 -16.671 15.892) 23.032 8.576 ( 0.000 18.571 30.399) 35.623 8.610 ( 0.000 8.679 1.087) 8.746 9.309 ( 0.000 -7.449 4.849) 8.888 9.756 ( 0.000 -5.076 19.083) 19.747 10.272 ( 0.000 -0.221 15.972) 15.974 10.546 ( 0.000 -7.890 15.381) 17.286 11.619 ( 0.000 14.039 7.991) 16.154 12.005 ( 0.000 -3.045 -1.932) 3.606 12.353 ( 0.000 2.779 -7.381) 7.887 12.391 ( 0.000 2.892 -5.194) 5.945 13.028 ( 0.000 -1.651 -10.410) 10.540 13.079 ( 0.000 -11.007 -14.172) 17.945 14.044 ( 0.000 -0.430 0.508) 0.666 14.081 ( 0.000 0.572 -1.598) 1.697 ======================= Grid point 628 (200/300) ======================= q-point: ( 0.10 0.33 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.009 ( 2.605 31.995 13.757) 34.925 6.432 ( -13.254 24.285 20.392) 34.370 7.783 ( -4.449 -20.730 14.128) 25.477 8.120 ( -3.108 -10.121 12.038) 16.032 8.240 ( -8.177 3.060 11.059) 14.090 8.851 ( -3.592 0.467 7.076) 7.949 9.258 ( 7.858 3.927 19.597) 21.476 9.766 ( -4.672 -0.520 16.511) 17.168 10.279 ( 2.746 -1.137 16.738) 16.999 10.584 ( 3.337 -8.158 15.429) 17.769 11.642 ( 2.415 11.970 7.555) 14.359 12.038 ( 2.912 -2.971 -0.538) 4.194 12.361 ( 0.889 2.981 -5.236) 6.091 12.405 ( 1.281 2.997 -6.059) 6.880 13.031 ( 0.434 -3.318 -9.486) 10.059 13.102 ( 1.847 -9.087 -13.187) 16.121 14.028 ( -1.291 0.547 -0.381) 1.453 14.084 ( 0.040 0.572 -1.746) 1.838 ======================= Grid point 629 (201/300) ======================= q-point: ( 0.20 0.33 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.973 ( -10.114 24.440 14.834) 30.325 6.249 ( 1.260 37.061 14.394) 39.778 7.608 ( -15.851 -17.992 5.183) 24.532 7.882 ( -7.646 5.421 7.786) 12.185 8.288 ( -1.451 -18.259 6.857) 19.558 8.623 ( -7.087 -11.767 6.929) 15.385 9.486 ( -9.459 9.176 16.143) 20.839 9.599 ( 6.777 2.328 24.703) 25.722 10.369 ( 4.845 -1.485 18.777) 19.448 10.677 ( 5.591 -6.323 15.108) 17.306 11.721 ( 5.275 8.859 7.034) 12.481 12.109 ( 3.841 -2.440 1.862) 4.916 12.388 ( 1.582 2.554 -2.222) 3.737 12.439 ( 1.963 3.236 -5.153) 6.393 13.048 ( 1.194 -4.033 -6.451) 7.701 13.140 ( 1.702 -7.642 -11.338) 13.778 14.002 ( -1.110 2.225 -2.109) 3.260 14.077 ( -0.720 1.273 -3.033) 3.367 ======================= Grid point 630 (202/300) ======================= q-point: ( 0.30 0.33 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.761 ( -6.979 26.674 11.580) 29.905 6.362 ( 5.712 36.434 4.304) 37.130 7.208 ( -19.321 -9.029 0.788) 21.341 7.790 ( -6.127 3.785 3.584) 8.044 8.098 ( -8.709 -16.731 2.687) 19.053 8.707 ( 8.891 -20.395 13.235) 25.888 9.126 ( -18.078 5.519 18.026) 26.119 9.733 ( -0.269 -6.161 20.237) 21.156 10.490 ( 7.673 2.703 21.203) 22.710 10.785 ( 4.205 -2.872 14.802) 15.654 11.851 ( 7.262 7.168 6.699) 12.207 12.186 ( 3.233 0.273 5.361) 6.266 12.417 ( 1.165 0.603 -3.436) 3.678 12.482 ( 2.090 2.536 0.612) 3.343 13.078 ( 1.647 -3.605 -2.888) 4.904 13.165 ( 0.628 -6.896 -9.243) 11.549 13.986 ( -0.471 3.710 -4.380) 5.759 14.056 ( -1.352 2.361 -5.019) 5.709 ======================= Grid point 631 (203/300) ======================= q-point: ( 0.40 0.33 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.745 ( 5.648 25.092 3.585) 25.969 6.310 ( -13.156 26.560 -5.357) 30.120 7.018 ( 3.532 3.107 3.350) 5.774 7.545 ( -15.443 7.774 -4.867) 17.961 8.099 ( 6.817 -14.313 12.831) 20.395 8.637 ( -16.310 -4.132 12.062) 20.702 9.055 ( 11.671 -16.894 19.783) 28.513 9.603 ( -11.009 -15.126 16.894) 25.208 10.659 ( 7.891 4.453 19.948) 21.910 10.830 ( 0.076 0.094 15.252) 15.253 12.004 ( 7.487 6.654 6.380) 11.876 12.213 ( -1.119 4.942 7.457) 9.016 12.447 ( 2.168 -2.403 -2.088) 3.852 12.512 ( 0.490 0.547 4.515) 4.575 13.113 ( 1.784 -3.436 -1.567) 4.176 13.166 ( -0.438 -5.682 -6.466) 8.619 13.984 ( 0.283 4.412 -6.484) 7.848 14.025 ( -1.541 3.454 -6.810) 7.790 ======================= Grid point 632 (204/300) ======================= q-point: (-0.50 0.33 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.975 ( -15.931 21.912 -3.320) 27.293 5.975 ( 15.931 21.912 -3.320) 27.293 7.233 ( -14.422 9.644 -1.512) 17.415 7.233 ( 14.422 9.644 -1.512) 17.415 8.315 ( -13.854 -7.822 14.252) 21.360 8.315 ( 13.854 -7.822 14.252) 21.360 9.335 ( -14.369 -18.894 16.937) 29.160 9.335 ( 14.369 -18.894 16.937) 29.160 10.786 ( -4.348 2.718 17.081) 17.834 10.786 ( 4.348 2.718 17.081) 17.834 12.141 ( -5.563 6.534 6.493) 10.761 12.141 ( 5.563 6.534 6.493) 10.761 12.495 ( -1.978 -1.845 3.077) 4.096 12.495 ( 1.978 -1.845 3.077) 4.096 13.147 ( -1.431 -4.212 -3.285) 5.530 13.147 ( 1.431 -4.212 -3.285) 5.530 13.998 ( -1.091 4.245 -7.458) 8.651 13.998 ( 1.091 4.245 -7.458) 8.651 ======================= Grid point 638 (205/300) ======================= q-point: ( 0.00 0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.564 ( 0.000 24.246 14.502) 28.252 6.842 ( 0.000 0.886 16.463) 16.487 7.551 ( 0.000 -3.618 17.143) 17.520 7.728 ( 0.000 -16.107 16.928) 23.367 8.793 ( 0.000 9.078 0.979) 9.131 8.890 ( 0.000 5.346 8.301) 9.874 9.244 ( 0.000 7.395 21.388) 22.630 9.546 ( 0.000 -15.559 22.263) 27.161 10.306 ( 0.000 3.371 16.725) 17.061 10.402 ( 0.000 -6.195 17.165) 18.249 11.845 ( 0.000 7.841 6.618) 10.260 11.945 ( 0.000 -3.223 2.541) 4.105 12.423 ( 0.000 3.560 -6.189) 7.140 12.445 ( 0.000 1.604 -5.327) 5.563 12.915 ( 0.000 -4.014 -16.041) 16.535 12.942 ( 0.000 -5.241 -14.402) 15.326 14.058 ( 0.000 1.403 0.696) 1.566 14.082 ( 0.000 -0.650 -0.334) 0.731 ======================= Grid point 639 (206/300) ======================= q-point: ( 0.10 0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.558 ( -1.354 22.844 13.941) 26.796 6.804 ( -2.677 5.103 16.120) 17.119 7.492 ( -5.477 -1.672 16.158) 17.143 7.751 ( 1.794 -19.990 16.787) 26.165 8.468 ( -19.144 13.283 3.866) 23.619 8.722 ( -17.720 -11.268 1.508) 21.053 9.454 ( 15.314 13.117 23.728) 31.138 9.684 ( 5.655 -8.313 18.620) 21.161 10.302 ( 1.085 3.654 17.340) 17.754 10.419 ( 2.229 -7.695 17.462) 19.212 11.846 ( 0.588 7.980 5.568) 9.749 11.965 ( 1.892 -4.460 3.151) 5.779 12.434 ( 1.051 3.668 -4.528) 5.921 12.462 ( 1.517 1.501 -4.832) 5.283 12.925 ( 1.102 -3.045 -14.161) 14.527 12.966 ( 1.905 -5.705 -13.288) 14.586 14.056 ( -0.128 1.863 -0.052) 1.868 14.085 ( 0.205 -0.725 -0.868) 1.150 ======================= Grid point 640 (207/300) ======================= q-point: ( 0.20 0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.466 ( -7.548 24.212 13.485) 28.724 6.793 ( 1.985 4.128 12.886) 13.676 7.332 ( -10.479 5.421 10.367) 15.706 7.771 ( -0.857 -24.671 12.537) 27.687 8.137 ( -12.486 10.034 2.487) 16.210 8.379 ( -12.607 -12.758 3.402) 18.256 9.626 ( -10.754 4.746 15.822) 19.711 9.661 ( 2.598 1.680 20.264) 20.499 10.393 ( 7.636 4.297 19.516) 21.393 10.527 ( 8.250 -8.124 17.905) 21.323 11.888 ( 3.756 7.708 5.096) 9.974 12.023 ( 3.935 -5.757 4.047) 8.063 12.461 ( 1.382 3.871 -2.447) 4.784 12.497 ( 1.646 1.149 -2.463) 3.177 12.959 ( 2.098 -2.089 -9.683) 10.125 13.006 ( 1.878 -5.724 -10.197) 11.844 14.055 ( 0.008 2.541 -1.890) 3.166 14.087 ( -0.001 -0.523 -2.439) 2.494 ======================= Grid point 641 (208/300) ======================= q-point: ( 0.30 0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.309 ( -6.445 27.639 9.558) 29.947 6.823 ( -2.917 -20.418 7.851) 22.069 7.099 ( -8.381 29.964 0.732) 31.122 7.684 ( -8.380 -25.545 0.860) 26.898 7.973 ( -1.712 13.748 8.064) 16.030 8.304 ( 4.225 -19.032 11.187) 22.477 9.318 ( -17.885 12.207 15.837) 26.827 9.559 ( -11.017 -11.021 16.778) 22.898 10.581 ( 9.576 5.838 19.717) 22.683 10.699 ( 7.459 -5.490 16.904) 19.275 11.995 ( 6.524 7.135 5.819) 11.284 12.124 ( 5.805 -5.453 6.296) 10.152 12.478 ( -0.108 3.975 -2.535) 4.716 12.520 ( 0.473 0.351 0.735) 0.942 13.005 ( 2.350 -1.922 -4.095) 5.098 13.039 ( 1.402 -4.899 -6.526) 8.280 14.056 ( 0.058 2.787 -4.153) 5.002 14.083 ( -0.375 0.111 -4.491) 4.508 ======================= Grid point 642 (209/300) ======================= q-point: ( 0.40 0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.244 ( 0.702 23.857 2.884) 24.041 6.597 ( -14.514 -5.664 -1.843) 15.689 7.110 ( 5.908 14.154 1.323) 15.394 7.469 ( -11.058 -15.909 -2.976) 19.602 8.080 ( 10.675 13.539 12.468) 21.277 8.441 ( 5.637 -18.345 9.267) 21.311 8.971 ( -13.106 10.399 19.404) 25.620 9.274 ( -15.740 -17.186 16.391) 28.492 10.745 ( 6.111 3.937 17.568) 19.012 10.808 ( 3.085 -2.256 15.768) 16.225 12.138 ( 7.071 6.447 7.389) 12.089 12.240 ( 4.735 -2.890 10.860) 12.195 12.453 ( -1.787 3.048 -4.937) 6.071 12.508 ( -1.836 -1.426 1.292) 2.659 13.049 ( 1.778 -1.969 -0.010) 2.653 13.064 ( 0.985 -3.583 -2.658) 4.568 14.057 ( 0.123 2.512 -6.069) 6.569 14.073 ( -0.586 0.968 -6.230) 6.332 ======================= Grid point 643 (210/300) ======================= q-point: (-0.50 0.44 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.346 ( -9.183 12.555 -2.211) 15.711 6.346 ( 9.183 12.555 -2.211) 15.711 7.264 ( -8.932 -3.878 -0.704) 9.763 7.264 ( 8.932 -3.878 -0.704) 9.763 8.345 ( -13.277 7.962 9.782) 18.313 8.345 ( 13.277 7.962 9.782) 18.313 8.973 ( -11.769 -14.630 19.085) 26.773 8.973 ( 11.769 -14.630 19.085) 26.773 10.823 ( -1.574 0.948 15.886) 15.992 10.823 ( 1.574 0.948 15.886) 15.992 12.258 ( -3.673 4.246 11.407) 12.714 12.258 ( 3.673 4.246 11.407) 12.714 12.455 ( -2.497 -1.880 -3.419) 4.633 12.455 ( 2.497 -1.880 -3.419) 4.633 13.072 ( -0.384 -2.444 0.298) 2.492 13.072 ( 0.384 -2.444 0.298) 2.492 14.062 ( -0.406 1.838 -6.884) 7.137 14.062 ( 0.406 1.838 -6.884) 7.137 ======================= Grid point 693 (211/300) ======================= q-point: ( 0.00 0.00 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.842 ( 0.000 0.000 22.159) 22.159 6.022 ( 0.000 0.000 5.047) 5.047 8.305 ( 0.000 0.000 7.839) 7.839 8.790 ( 0.000 0.000 3.727) 3.727 8.852 ( 0.000 0.000 38.186) 38.186 9.129 ( 0.000 0.000 5.049) 5.049 9.549 ( 0.000 0.000 -0.447) 0.447 9.986 ( 0.000 0.000 26.099) 26.099 10.695 ( 0.000 0.000 9.774) 9.774 11.007 ( 0.000 0.000 -1.841) 1.841 11.074 ( 0.000 0.000 5.204) 5.204 11.824 ( 0.000 0.000 -10.164) 10.164 12.179 ( 0.000 0.000 -4.575) 4.575 12.333 ( 0.000 0.000 -6.631) 6.631 12.768 ( 0.000 0.000 -0.871) 0.871 13.239 ( 0.000 0.000 -11.223) 11.223 14.054 ( 0.000 0.000 -1.549) 1.549 14.086 ( 0.000 0.000 -2.158) 2.158 ======================= Grid point 694 (212/300) ======================= q-point: ( 0.10 0.00 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.872 ( 2.875 0.000 20.205) 20.408 5.841 ( -16.831 0.000 7.925) 18.604 7.942 ( -23.588 0.000 8.371) 25.029 8.650 ( -16.021 0.000 -0.697) 16.036 9.056 ( 4.171 0.000 12.403) 13.086 9.348 ( 24.697 0.000 25.852) 35.753 9.394 ( -8.987 0.000 2.662) 9.373 9.985 ( -1.015 0.000 25.205) 25.226 10.737 ( 4.670 0.000 9.866) 10.915 11.051 ( -2.141 0.000 6.035) 6.404 11.181 ( 13.698 0.000 0.198) 13.699 11.830 ( 0.634 0.000 -10.058) 10.078 12.199 ( 2.060 0.000 -4.334) 4.798 12.365 ( 3.115 0.000 -6.383) 7.103 12.791 ( 2.065 0.000 -1.351) 2.468 13.223 ( -1.567 0.000 -11.123) 11.232 14.030 ( -2.292 0.000 -1.881) 2.965 14.055 ( -2.987 0.000 -1.972) 3.580 ======================= Grid point 695 (213/300) ======================= q-point: ( 0.20 0.00 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.949 ( 4.337 0.000 14.561) 15.193 5.410 ( -23.174 0.000 10.568) 25.470 7.488 ( -20.711 0.000 2.718) 20.888 8.127 ( -32.633 0.000 -6.857) 33.345 9.100 ( 1.528 0.000 8.324) 8.463 9.313 ( -0.168 0.000 7.675) 7.676 9.871 ( 23.967 0.000 27.665) 36.602 9.961 ( -0.350 0.000 23.117) 23.120 10.865 ( 7.034 0.000 11.225) 13.247 10.991 ( -3.712 0.000 8.436) 9.216 11.458 ( 12.224 0.000 1.827) 12.360 11.852 ( 1.617 0.000 -9.562) 9.697 12.271 ( 5.224 0.000 -3.294) 6.176 12.456 ( 5.611 0.000 -4.816) 7.395 12.842 ( 2.657 0.000 -2.626) 3.736 13.178 ( -2.756 0.000 -10.859) 11.204 13.962 ( -4.331 0.000 -2.939) 5.234 13.970 ( -5.214 0.000 -1.864) 5.537 ======================= Grid point 696 (214/300) ======================= q-point: ( 0.30 0.00 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.992 ( -15.940 0.000 6.706) 17.293 5.028 ( 2.766 0.000 5.735) 6.368 7.102 ( -17.182 0.000 0.698) 17.196 7.439 ( -32.644 0.000 -6.498) 33.285 9.131 ( 1.602 0.000 9.502) 9.636 9.318 ( -0.460 0.000 10.424) 10.434 10.004 ( 4.916 0.000 20.375) 20.960 10.280 ( 15.569 0.000 23.061) 27.825 10.904 ( -4.446 0.000 11.545) 12.372 10.991 ( 4.606 0.000 12.452) 13.277 11.662 ( 8.043 0.000 0.673) 8.071 11.889 ( 1.697 0.000 -8.522) 8.689 12.416 ( 8.948 0.000 -0.339) 8.955 12.581 ( 6.279 0.000 -0.818) 6.332 12.890 ( 2.017 0.000 -4.541) 4.969 13.116 ( -3.244 0.000 -10.470) 10.961 13.852 ( -6.057 0.000 -2.795) 6.671 13.859 ( -5.652 0.000 -4.822) 7.430 ======================= Grid point 697 (215/300) ======================= q-point: ( 0.40 0.00 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.813 ( -1.382 0.000 -1.921) 2.366 5.028 ( -3.474 0.000 -4.409) 5.614 6.805 ( -11.297 0.000 2.003) 11.473 6.888 ( -19.617 0.000 -1.060) 19.645 9.169 ( 2.268 0.000 10.990) 11.222 9.284 ( -2.632 0.000 11.892) 12.180 10.154 ( 9.248 0.000 18.234) 20.445 10.460 ( 0.722 0.000 18.301) 18.315 10.862 ( 2.054 0.000 14.178) 14.326 11.031 ( -0.876 0.000 13.430) 13.459 11.796 ( 5.318 0.000 -2.308) 5.798 11.908 ( -0.079 0.000 -7.112) 7.112 12.608 ( 8.818 0.000 4.905) 10.090 12.692 ( 4.145 0.000 4.579) 6.177 12.926 ( 1.727 0.000 -7.431) 7.629 13.048 ( -3.416 0.000 -9.979) 10.548 13.739 ( -4.543 0.000 -5.303) 6.982 13.747 ( -4.801 0.000 -7.170) 8.629 ======================= Grid point 698 (216/300) ======================= q-point: (-0.50 0.00 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.898 ( -7.653 0.000 -8.198) 11.215 4.898 ( 7.653 0.000 -8.198) 11.215 6.684 ( -0.780 0.000 3.026) 3.125 6.684 ( 0.780 0.000 3.026) 3.125 9.224 ( -2.996 0.000 11.931) 12.302 9.224 ( 2.996 0.000 11.931) 12.302 10.350 ( -9.078 0.000 17.241) 19.485 10.350 ( 9.078 0.000 17.241) 19.485 10.961 ( -5.468 0.000 14.227) 15.242 10.961 ( 5.468 0.000 14.227) 15.242 11.879 ( -2.804 0.000 -5.115) 5.833 11.879 ( 2.804 0.000 -5.115) 5.833 12.724 ( -1.768 0.000 8.272) 8.459 12.724 ( 1.768 0.000 8.272) 8.459 12.976 ( -3.386 0.000 -9.933) 10.494 12.976 ( 3.386 0.000 -9.933) 10.494 13.691 ( -0.200 0.000 -7.804) 7.807 13.691 ( 0.200 0.000 -7.804) 7.807 ======================= Grid point 704 (217/300) ======================= q-point: ( 0.00 0.11 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.062 ( 0.000 20.970 20.350) 29.221 6.145 ( 0.000 11.951 5.675) 13.230 8.350 ( 0.000 4.314 7.701) 8.827 8.734 ( 0.000 -4.856 5.974) 7.699 8.883 ( 0.000 2.064 35.277) 35.337 8.946 ( 0.000 -16.187 7.256) 17.739 9.519 ( 0.000 -2.391 -0.008) 2.391 10.066 ( 0.000 5.898 23.154) 23.893 10.653 ( 0.000 -3.687 10.314) 10.953 10.951 ( 0.000 -3.298 3.065) 4.502 11.183 ( 0.000 8.526 0.760) 8.560 11.855 ( 0.000 2.622 -9.929) 10.270 12.180 ( 0.000 0.126 -4.858) 4.859 12.306 ( 0.000 -2.238 -5.798) 6.215 12.811 ( 0.000 3.697 -2.016) 4.211 13.204 ( 0.000 -3.891 -10.851) 11.527 14.042 ( 0.000 -0.843 -1.376) 1.613 14.076 ( 0.000 -0.968 -1.956) 2.182 ======================= Grid point 705 (218/300) ======================= q-point: ( 0.10 0.11 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.089 ( 2.575 20.682 18.498) 27.867 5.965 ( -16.771 12.071 8.603) 22.383 7.987 ( -23.487 4.383 7.789) 25.131 8.609 ( -13.867 -4.984 1.550) 14.817 8.951 ( 0.562 -10.213 6.971) 12.378 9.246 ( 13.949 -8.341 19.291) 25.225 9.417 ( 3.665 3.181 14.310) 15.110 10.049 ( -2.598 4.368 22.515) 23.082 10.690 ( 4.667 -4.132 10.387) 12.113 10.998 ( 1.645 -3.245 6.361) 7.328 11.286 ( 9.921 8.193 0.377) 12.872 11.864 ( 0.933 3.069 -9.835) 10.345 12.201 ( 2.241 0.313 -4.550) 5.082 12.335 ( 2.861 -2.565 -5.561) 6.760 12.835 ( 2.157 3.778 -2.368) 4.953 13.194 ( -0.951 -3.269 -10.682) 11.211 14.011 ( -2.904 -1.345 -2.056) 3.804 14.055 ( -2.086 -0.170 -1.464) 2.554 ======================= Grid point 706 (219/300) ======================= q-point: ( 0.20 0.11 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.157 ( 3.812 19.884 13.037) 24.081 5.537 ( -22.932 12.539 11.362) 28.499 7.532 ( -20.989 4.200 1.971) 21.496 8.143 ( -29.996 1.050 -5.539) 30.521 8.929 ( -0.766 -14.218 6.750) 15.757 9.316 ( 3.018 -3.185 7.593) 8.770 9.736 ( 10.232 -6.353 26.006) 28.660 10.052 ( 7.937 3.385 24.171) 25.665 10.811 ( 5.667 -4.082 12.093) 13.964 11.003 ( -0.249 0.446 8.792) 8.807 11.511 ( 10.656 4.878 1.256) 11.787 11.893 ( 1.852 3.794 -9.241) 10.160 12.276 ( 5.159 0.558 -3.582) 6.306 12.422 ( 5.574 -2.899 -3.846) 7.366 12.889 ( 2.892 4.032 -3.209) 5.909 13.166 ( -1.751 -1.633 -10.253) 10.528 13.931 ( -4.747 -1.536 -3.071) 5.859 13.991 ( -4.201 0.927 -1.471) 4.547 ======================= Grid point 707 (220/300) ======================= q-point: ( 0.30 0.11 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.121 ( -15.386 12.551 6.872) 21.011 5.227 ( 1.616 19.207 5.249) 19.977 7.134 ( -18.008 3.134 0.025) 18.279 7.508 ( -29.969 6.322 -5.933) 31.198 8.944 ( 2.116 -15.557 8.645) 17.923 9.329 ( -2.726 -1.391 10.378) 10.820 9.853 ( 6.629 -12.571 19.737) 24.321 10.303 ( 11.031 0.165 22.744) 25.279 10.865 ( -0.087 -2.395 13.614) 13.823 11.026 ( 2.299 2.140 11.197) 11.629 11.698 ( 7.716 3.272 0.101) 8.382 11.931 ( 1.569 4.114 -8.020) 9.149 12.412 ( 8.113 -0.651 -1.757) 8.326 12.550 ( 6.645 -2.150 0.751) 7.024 12.945 ( 2.483 4.554 -4.116) 6.622 13.124 ( -2.303 0.308 -9.770) 10.042 13.827 ( -5.223 -0.812 -4.453) 6.912 13.889 ( -5.623 1.697 -2.871) 6.538 ======================= Grid point 708 (221/300) ======================= q-point: ( 0.40 0.11 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.948 ( -1.133 13.093 -1.072) 13.186 5.202 ( -4.970 16.710 -4.870) 18.101 6.829 ( -10.465 3.497 1.785) 11.178 7.004 ( -18.542 9.979 -1.372) 21.101 9.008 ( 4.086 -14.108 10.474) 18.040 9.229 ( -6.069 -6.356 12.154) 14.999 10.038 ( 10.733 -10.904 17.140) 22.976 10.397 ( -2.340 -6.522 17.671) 18.981 10.889 ( 3.693 2.423 15.212) 15.840 11.047 ( -0.882 1.481 12.891) 13.006 11.829 ( 5.303 3.069 -2.458) 6.601 11.945 ( -0.375 3.763 -6.741) 7.729 12.584 ( 7.886 -2.631 1.571) 8.461 12.670 ( 4.421 -1.166 6.224) 7.723 12.988 ( 1.843 4.993 -5.293) 7.506 13.075 ( -2.443 2.116 -8.961) 9.526 13.734 ( -3.456 0.548 -6.471) 7.356 13.775 ( -5.082 2.084 -5.457) 7.742 ======================= Grid point 709 (222/300) ======================= q-point: (-0.50 0.11 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.043 ( -8.650 14.046 -7.619) 18.170 5.043 ( 8.650 14.046 -7.619) 18.170 6.766 ( -4.612 7.948 2.471) 9.515 6.766 ( 4.612 7.948 2.471) 9.515 9.108 ( -5.597 -10.961 11.862) 17.093 9.108 ( 5.597 -10.961 11.862) 17.093 10.256 ( -9.899 -9.193 16.400) 21.247 10.256 ( 9.899 -9.193 16.400) 21.247 10.987 ( -4.694 2.340 14.313) 15.244 10.987 ( 4.694 2.340 14.313) 15.244 11.913 ( -2.837 3.265 -4.982) 6.598 11.913 ( 2.837 3.265 -4.982) 6.598 12.696 ( -2.393 -2.365 6.166) 7.025 12.696 ( 2.393 -2.365 6.166) 7.025 13.028 ( -2.187 4.204 -7.102) 8.538 13.028 ( 2.187 4.204 -7.102) 8.538 13.707 ( -1.119 1.761 -7.420) 7.707 13.707 ( 1.119 1.761 -7.420) 7.707 ======================= Grid point 715 (223/300) ======================= q-point: ( 0.00 0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.608 ( 0.000 31.777 16.504) 35.807 6.466 ( 0.000 19.182 7.131) 20.464 8.445 ( 0.000 0.071 10.773) 10.773 8.583 ( 0.000 -10.708 7.528) 13.089 8.584 ( 0.000 -14.039 5.412) 15.046 8.935 ( 0.000 3.447 27.322) 27.538 9.485 ( 0.000 -0.426 5.842) 5.858 10.153 ( 0.000 1.960 19.785) 19.882 10.577 ( 0.000 -3.214 11.376) 11.821 10.883 ( 0.000 -3.730 6.604) 7.585 11.398 ( 0.000 12.920 -1.251) 12.981 11.903 ( 0.000 1.708 -8.893) 9.055 12.188 ( 0.000 0.832 -5.502) 5.564 12.270 ( 0.000 -0.701 -4.910) 4.960 12.877 ( 0.000 1.756 -4.709) 5.026 13.069 ( 0.000 -9.654 -10.014) 13.910 14.037 ( 0.000 0.594 -1.039) 1.197 14.054 ( 0.000 -0.908 -1.098) 1.424 ======================= Grid point 716 (224/300) ======================= q-point: ( 0.10 0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.627 ( 1.799 31.240 14.720) 34.581 6.297 ( -15.658 20.505 10.172) 27.733 8.109 ( -23.474 7.630 6.066) 25.417 8.395 ( -9.083 -16.661 7.407) 20.370 8.720 ( 2.800 -12.289 6.254) 14.070 9.067 ( -1.585 -8.554 7.949) 11.785 9.534 ( 12.975 8.111 22.537) 27.241 10.104 ( -6.406 0.877 18.980) 20.051 10.608 ( 5.112 -3.334 11.843) 13.323 10.933 ( 3.250 -3.649 8.272) 9.608 11.476 ( 6.734 10.612 -0.598) 12.582 11.930 ( 2.361 3.032 -8.899) 9.693 12.217 ( 3.009 1.417 -4.915) 5.934 12.288 ( 1.866 -1.494 -4.501) 5.096 12.903 ( 2.372 1.926 -4.600) 5.522 13.076 ( 0.579 -8.738 -9.790) 13.135 13.997 ( -3.118 0.185 -1.652) 3.534 14.052 ( -0.968 0.129 -0.787) 1.254 ======================= Grid point 717 (225/300) ======================= q-point: ( 0.20 0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.663 ( 0.242 27.895 8.913) 29.286 5.908 ( -19.229 25.229 13.774) 34.583 7.639 ( -22.383 5.633 -0.136) 23.082 8.121 ( -19.805 -4.690 0.377) 20.356 8.621 ( -6.418 -14.810 3.208) 16.456 9.123 ( 7.847 -15.078 9.329) 19.390 9.704 ( -4.998 2.500 20.112) 20.874 10.075 ( 9.391 -0.285 24.153) 25.916 10.738 ( 5.933 -2.895 13.906) 15.394 10.993 ( 2.903 -1.593 9.596) 10.151 11.630 ( 7.695 6.564 -0.134) 10.115 11.987 ( 3.066 5.015 -8.478) 10.317 12.291 ( 3.473 0.582 -4.983) 6.102 12.372 ( 6.927 -0.888 -0.794) 7.029 12.963 ( 3.335 2.390 -4.115) 5.811 13.089 ( 0.626 -6.431 -9.277) 11.305 13.922 ( -4.032 0.948 -2.573) 4.876 14.010 ( -3.158 1.159 -1.108) 3.542 ======================= Grid point 718 (226/300) ======================= q-point: ( 0.30 0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.466 ( -13.890 21.302 6.993) 26.375 5.747 ( -1.421 31.625 4.136) 31.926 7.212 ( -18.752 3.775 -1.030) 19.156 7.654 ( -23.214 7.284 -4.475) 24.738 8.582 ( 1.801 -19.564 7.506) 21.032 9.225 ( -2.387 -9.692 9.079) 13.493 9.587 ( 0.947 -11.817 19.370) 22.710 10.252 ( 3.748 -5.239 20.408) 21.400 10.838 ( 4.668 -0.104 16.006) 16.673 11.053 ( 2.558 0.399 10.615) 10.927 11.779 ( 6.936 4.725 -1.089) 8.463 12.045 ( 2.146 6.943 -6.871) 10.001 12.375 ( 5.421 -3.137 -4.675) 7.816 12.535 ( 8.020 1.047 4.766) 9.388 13.030 ( 2.997 3.052 -3.204) 5.344 13.097 ( 0.141 -3.615 -8.577) 9.309 13.840 ( -3.826 2.383 -3.986) 6.017 13.928 ( -4.681 2.358 -2.506) 5.810 ======================= Grid point 719 (227/300) ======================= q-point: ( 0.40 0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.307 ( -0.827 22.072 0.375) 22.091 5.648 ( -9.262 26.560 -5.609) 28.682 6.944 ( -5.862 7.353 1.838) 9.582 7.241 ( -16.928 12.709 -2.815) 21.354 8.668 ( 6.329 -18.711 10.078) 22.175 9.049 ( -11.266 -10.578 12.026) 19.582 9.752 ( 11.798 -16.900 16.085) 26.145 10.204 ( -7.345 -12.484 16.026) 21.602 10.944 ( 5.383 2.853 15.839) 16.971 11.078 ( -0.318 1.294 11.884) 11.958 11.908 ( 5.663 4.789 -2.898) 7.962 12.056 ( -1.096 7.149 -5.570) 9.129 12.511 ( 7.365 -4.317 -1.493) 8.666 12.658 ( 3.137 -0.276 7.660) 8.282 13.074 ( 1.408 2.209 -4.503) 5.210 13.105 ( 0.698 0.892 -4.395) 4.539 13.777 ( -2.113 3.825 -5.796) 7.259 13.831 ( -4.446 3.601 -4.897) 7.531 ======================= Grid point 720 (228/300) ======================= q-point: (-0.50 0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.420 ( -10.580 22.585 -6.192) 25.697 5.420 ( 10.580 22.585 -6.192) 25.697 6.979 ( -8.240 12.546 0.814) 15.032 6.979 ( 8.240 12.546 0.814) 15.032 8.831 ( -9.597 -15.331 11.853) 21.625 8.831 ( 9.597 -15.331 11.853) 21.625 10.000 ( -11.820 -15.913 15.110) 24.925 10.000 ( 11.820 -15.913 15.110) 24.925 11.038 ( -3.530 2.425 13.709) 14.362 11.038 ( 3.530 2.425 13.709) 14.362 12.005 ( -3.775 5.891 -4.519) 8.329 12.005 ( 3.775 5.891 -4.519) 8.329 12.641 ( -4.474 -3.100 3.776) 6.624 12.641 ( 4.474 -3.099 3.776) 6.624 13.103 ( -1.152 2.609 -2.827) 4.015 13.103 ( 1.152 2.609 -2.827) 4.015 13.767 ( -1.434 4.338 -6.613) 8.038 13.767 ( 1.434 4.338 -6.613) 8.038 ======================= Grid point 726 (229/300) ======================= q-point: ( 0.00 0.33 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.253 ( 0.000 31.539 13.250) 34.209 6.861 ( 0.000 18.983 8.620) 20.848 8.111 ( 0.000 -20.121 12.061) 23.459 8.314 ( 0.000 -15.604 9.575) 18.308 8.655 ( 0.000 8.502 3.571) 9.222 9.001 ( 0.000 1.765 10.218) 10.369 9.528 ( 0.000 5.708 19.611) 20.425 10.128 ( 0.000 -4.628 18.493) 19.063 10.546 ( 0.000 0.400 12.083) 12.089 10.796 ( 0.000 -5.014 9.939) 11.132 11.675 ( 0.000 13.785 -2.138) 13.950 11.919 ( 0.000 0.288 -6.581) 6.587 12.221 ( 0.000 2.904 -5.906) 6.581 12.289 ( 0.000 2.426 -5.240) 5.775 12.838 ( 0.000 -12.535 -10.031) 16.055 12.845 ( 0.000 -5.338 -8.089) 9.692 14.050 ( 0.000 0.622 0.170) 0.645 14.061 ( 0.000 1.476 -0.497) 1.557 ======================= Grid point 727 (230/300) ======================= q-point: ( 0.10 0.33 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.255 ( -0.291 30.175 11.392) 32.255 6.746 ( -10.492 23.123 11.370) 27.821 8.007 ( -9.561 -19.503 8.534) 23.336 8.280 ( -17.598 6.456 6.618) 19.879 8.437 ( 1.752 -14.030 8.743) 16.623 8.915 ( -13.070 -7.486 0.529) 15.071 9.719 ( 16.479 10.000 24.918) 31.504 10.098 ( -6.472 -1.099 16.891) 18.122 10.568 ( 4.578 -0.493 12.819) 13.621 10.842 ( 3.686 -5.585 10.716) 12.634 11.691 ( 1.981 10.219 -2.144) 10.628 11.970 ( 3.815 0.744 -6.390) 7.479 12.270 ( 5.048 4.290 -4.318) 7.907 12.294 ( 0.510 2.243 -4.996) 5.500 12.857 ( 2.024 -10.863 -8.748) 14.093 12.883 ( 3.186 -5.648 -8.205) 10.458 14.018 ( -2.275 1.828 -0.467) 2.956 14.065 ( -0.479 0.940 -0.393) 1.126 ======================= Grid point 728 (231/300) ======================= q-point: ( 0.20 0.33 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.187 ( -8.630 24.995 7.752) 27.555 6.527 ( -7.633 33.970 13.010) 37.168 7.644 ( -23.316 -9.536 -0.530) 25.196 8.030 ( -7.878 1.695 6.658) 10.453 8.347 ( -13.034 -14.935 0.996) 19.848 8.782 ( 4.449 -17.722 8.013) 19.952 9.795 ( -14.422 6.078 15.336) 21.912 10.069 ( 7.861 -0.357 22.253) 23.603 10.703 ( 7.337 -0.410 15.211) 16.893 10.936 ( 5.413 -4.132 11.130) 13.048 11.764 ( 5.086 6.854 -1.740) 8.710 12.056 ( 5.046 0.883 -6.610) 8.362 12.303 ( 0.440 2.150 -5.394) 5.824 12.418 ( 8.498 4.713 1.218) 9.793 12.915 ( 3.465 -9.569 -8.429) 13.214 12.960 ( 4.123 -3.453 -5.525) 7.710 13.967 ( -2.691 3.144 -1.459) 4.388 14.037 ( -2.175 1.402 -1.144) 2.829 ======================= Grid point 729 (232/300) ======================= q-point: ( 0.30 0.33 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.939 ( -12.177 25.403 6.575) 28.928 6.429 ( -5.806 35.433 2.560) 35.997 7.210 ( -16.364 -6.374 -0.198) 17.562 7.775 ( -16.519 4.523 -3.444) 17.470 8.214 ( 1.380 -15.766 7.670) 17.587 8.921 ( 5.495 -19.908 9.007) 22.531 9.479 ( -13.181 1.715 17.149) 21.697 10.100 ( -5.011 -9.816 17.018) 20.275 10.860 ( 7.788 2.198 16.402) 18.290 11.039 ( 4.107 -1.759 10.969) 11.844 11.886 ( 6.616 6.049 -1.849) 9.153 12.178 ( 6.000 4.471 -4.880) 8.934 12.314 ( 1.308 -0.991 -5.222) 5.474 12.577 ( 6.262 2.223 5.830) 8.840 12.986 ( 3.435 -6.309 -8.195) 10.898 13.046 ( 4.198 -1.611 -1.161) 4.644 13.913 ( -2.470 4.362 -3.006) 5.845 13.980 ( -3.349 2.500 -2.697) 4.974 ======================= Grid point 730 (233/300) ======================= q-point: ( 0.40 0.33 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.789 ( -1.453 25.259 1.090) 25.324 6.193 ( -16.099 26.001 -6.336) 31.232 7.070 ( 1.890 3.791 2.273) 4.807 7.453 ( -14.256 6.635 -4.423) 16.334 8.331 ( 9.213 -12.464 10.737) 18.856 8.852 ( -12.156 -9.149 9.785) 18.089 9.419 ( 7.476 -14.072 17.033) 23.324 9.914 ( -12.054 -16.204 14.664) 24.958 10.997 ( 5.381 2.426 14.494) 15.650 11.090 ( 0.880 -0.144 11.172) 11.208 12.021 ( 6.462 6.532 -2.838) 9.616 12.216 ( -2.024 8.617 -4.437) 9.901 12.417 ( 7.893 -5.158 -2.002) 9.639 12.641 ( -0.384 -2.096 5.551) 5.946 13.061 ( 3.905 -1.724 -3.656) 5.621 13.117 ( 2.336 -0.547 1.710) 2.946 13.872 ( -1.388 5.082 -4.837) 7.151 13.911 ( -3.133 3.903 -4.753) 6.902 ======================= Grid point 731 (234/300) ======================= q-point: (-0.50 0.33 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.892 ( -11.204 23.397 -4.729) 26.369 5.892 ( 11.204 23.397 -4.729) 26.369 7.205 ( -9.981 7.971 -1.239) 12.833 7.205 ( 9.981 7.971 -1.239) 12.833 8.569 ( -13.687 -8.865 11.533) 19.973 8.569 ( 13.687 -8.865 11.533) 19.973 9.649 ( -13.203 -18.432 14.820) 27.087 9.649 ( 13.203 -18.432 14.820) 27.087 11.075 ( -2.321 1.275 12.341) 12.622 11.075 ( 2.321 1.275 12.341) 12.622 12.140 ( -5.030 7.455 -3.915) 9.808 12.140 ( 5.030 7.455 -3.915) 9.808 12.569 ( -6.176 -4.319 1.831) 7.755 12.569 ( 6.176 -4.319 1.831) 7.755 13.125 ( -1.719 -0.065 1.336) 2.178 13.125 ( 1.719 -0.065 1.336) 2.178 13.866 ( -0.981 4.961 -5.849) 7.732 13.866 ( 0.981 4.961 -5.849) 7.732 ======================= Grid point 737 (235/300) ======================= q-point: ( 0.00 0.44 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.819 ( 0.000 24.063 11.638) 26.729 7.104 ( 0.000 0.054 10.189) 10.189 7.826 ( 0.000 -3.584 11.152) 11.713 7.994 ( 0.000 -15.319 10.182) 18.394 8.827 ( 0.000 8.329 2.360) 8.657 8.967 ( 0.000 -5.041 1.729) 5.329 9.721 ( 0.000 12.597 24.628) 27.663 9.969 ( 0.000 -10.972 20.612) 23.350 10.592 ( 0.000 3.922 12.490) 13.091 10.689 ( 0.000 -5.470 12.139) 13.314 11.883 ( 0.000 5.731 -2.662) 6.319 11.925 ( 0.000 0.021 -4.246) 4.246 12.323 ( 0.000 6.655 -4.050) 7.790 12.353 ( 0.000 3.228 -4.290) 5.369 12.626 ( 0.000 -6.593 -12.808) 14.405 12.681 ( 0.000 -9.522 -11.881) 15.226 14.072 ( 0.000 1.112 0.661) 1.294 14.081 ( 0.000 0.302 0.230) 0.380 ======================= Grid point 738 (236/300) ======================= q-point: ( 0.10 0.44 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.792 ( -2.980 23.114 10.142) 25.417 7.069 ( -2.906 1.804 10.673) 11.208 7.751 ( -7.437 0.675 10.468) 12.858 8.025 ( 1.429 -19.539 11.158) 22.546 8.525 ( -21.035 11.026 2.528) 23.884 8.741 ( -18.601 -10.105 0.461) 21.174 9.912 ( 12.359 8.797 22.331) 26.996 10.048 ( 1.970 -4.527 18.047) 18.710 10.602 ( 2.826 4.053 13.211) 14.105 10.716 ( 3.070 -6.666 12.758) 14.718 11.860 ( -0.284 6.575 -3.400) 7.408 11.953 ( 1.855 -2.675 -4.158) 5.281 12.365 ( 1.425 4.400 -3.791) 5.980 12.383 ( 4.792 4.851 -2.520) 7.270 12.663 ( 3.646 -5.156 -12.131) 13.677 12.734 ( 4.780 -8.708 -9.995) 14.092 14.058 ( -1.193 1.733 0.174) 2.111 14.076 ( -0.641 -0.060 -0.029) 0.645 ======================= Grid point 739 (237/300) ======================= q-point: ( 0.20 0.44 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.674 ( -8.960 23.562 7.950) 26.432 7.020 ( -1.448 0.179 9.906) 10.013 7.478 ( -19.756 10.631 4.963) 22.977 7.949 ( -11.346 -24.919 5.563) 27.940 8.192 ( -9.223 11.725 3.665) 15.361 8.457 ( -4.559 -14.708 4.262) 15.977 9.928 ( -12.123 6.726 14.783) 20.267 10.036 ( -2.092 -3.537 17.663) 18.134 10.735 ( 9.157 3.757 15.350) 18.265 10.835 ( 7.999 -5.598 13.426) 16.600 11.900 ( 4.159 6.607 -2.826) 8.303 12.014 ( 4.663 -4.462 -4.070) 7.630 12.395 ( 1.461 6.285 -4.463) 7.846 12.490 ( 4.878 -0.412 0.726) 4.949 12.770 ( 6.593 -1.696 -9.199) 11.444 12.852 ( 6.351 -6.671 -5.553) 10.755 14.027 ( -1.745 2.449 -0.969) 3.159 14.053 ( -1.630 -0.112 -1.059) 1.947 ======================= Grid point 740 (238/300) ======================= q-point: ( 0.30 0.44 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.453 ( -11.445 25.537 5.248) 28.472 6.921 ( -16.337 -19.494 1.445) 25.475 7.116 ( -5.549 30.646 2.370) 31.234 7.649 ( -14.523 -20.202 -3.094) 25.073 8.154 ( 3.774 11.729 9.116) 15.327 8.500 ( 5.714 -20.758 8.635) 23.197 9.622 ( -16.472 11.188 14.767) 24.790 9.871 ( -12.532 -12.747 14.780) 23.195 10.918 ( 7.874 3.431 14.577) 16.920 10.987 ( 6.130 -3.246 12.340) 14.156 12.016 ( 6.854 6.769 -2.237) 9.889 12.143 ( 7.586 -5.467 -2.869) 9.781 12.414 ( 0.133 8.190 -4.112) 9.166 12.561 ( 1.774 -4.997 1.227) 5.443 12.915 ( 7.280 0.637 -3.812) 8.242 12.980 ( 6.059 -4.324 -0.497) 7.460 13.989 ( -1.933 2.748 -2.639) 4.272 14.012 ( -2.291 0.422 -2.701) 3.567 ======================= Grid point 741 (239/300) ======================= q-point: ( 0.40 0.44 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.270 ( -5.193 21.560 0.005) 22.177 6.526 ( -17.374 1.349 -4.916) 18.106 7.143 ( 4.020 8.793 1.939) 9.861 7.406 ( -9.501 -11.698 -3.225) 15.412 8.302 ( 10.094 10.196 10.013) 17.496 8.606 ( 2.527 -16.365 7.621) 18.229 9.331 ( -9.556 6.401 16.950) 20.483 9.582 ( -14.719 -16.214 14.704) 26.377 11.041 ( 4.151 1.963 12.511) 13.327 11.074 ( 2.465 -1.357 11.271) 11.617 12.161 ( 7.046 7.235 -2.675) 10.447 12.298 ( 6.562 -6.171 -3.139) 9.540 12.396 ( -1.271 8.579 -1.714) 8.840 12.554 ( -2.472 -6.612 0.930) 7.120 13.049 ( 5.417 0.870 1.458) 5.677 13.085 ( 3.795 -2.230 3.265) 5.480 13.953 ( -1.383 2.613 -4.441) 5.335 13.967 ( -1.992 1.296 -4.519) 5.106 ======================= Grid point 742 (240/300) ======================= q-point: (-0.50 0.44 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.278 ( -6.396 12.538 -4.293) 14.715 6.278 ( 6.396 12.538 -4.293) 14.715 7.248 ( -6.316 -2.013 -0.818) 6.680 7.248 ( 6.316 -2.013 -0.818) 6.680 8.523 ( -9.887 2.411 8.239) 13.093 8.523 ( 9.887 2.411 8.239) 13.093 9.326 ( -8.511 -11.220 16.603) 21.771 9.326 ( 8.511 -11.220 16.603) 21.771 11.091 ( -0.825 0.326 11.267) 11.302 11.091 ( 0.825 0.326 11.267) 11.302 12.289 ( -5.118 6.741 -4.051) 9.384 12.289 ( 5.118 6.741 -4.051) 9.384 12.467 ( -5.728 -5.408 0.973) 7.937 12.467 ( 5.728 -5.408 0.973) 7.937 13.117 ( -0.928 -0.372 4.189) 4.307 13.117 ( 0.928 -0.372 4.189) 4.307 13.941 ( -0.332 2.113 -5.383) 5.792 13.941 ( 0.332 2.113 -5.383) 5.792 ======================= Grid point 792 (241/300) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.242 ( 0.000 0.000 18.613) 18.613 6.009 ( 0.000 0.000 -5.418) 5.418 8.480 ( 0.000 0.000 9.089) 9.089 8.813 ( 0.000 0.000 -1.154) 1.154 9.236 ( 0.000 0.000 5.961) 5.961 9.527 ( 0.000 0.000 -1.983) 1.983 9.538 ( 0.000 0.000 31.830) 31.830 10.466 ( 0.000 0.000 22.636) 22.636 10.867 ( 0.000 0.000 7.846) 7.846 10.875 ( 0.000 0.000 -11.103) 11.103 11.130 ( 0.000 0.000 0.542) 0.542 11.588 ( 0.000 0.000 -13.888) 13.888 12.113 ( 0.000 0.000 -2.023) 2.023 12.219 ( 0.000 0.000 -4.951) 4.951 12.769 ( 0.000 0.000 1.056) 1.056 13.044 ( 0.000 0.000 -8.618) 8.618 14.034 ( 0.000 0.000 -0.530) 0.530 14.051 ( 0.000 0.000 -1.338) 1.338 ======================= Grid point 793 (242/300) ======================= q-point: ( 0.10 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.235 ( -0.781 0.000 16.736) 16.754 5.882 ( -12.363 0.000 -2.920) 12.704 8.124 ( -27.245 0.000 9.741) 28.934 8.590 ( -22.565 0.000 -4.965) 23.105 9.212 ( 0.523 0.000 6.364) 6.386 9.430 ( -4.148 0.000 0.647) 4.199 9.902 ( 25.102 0.000 27.447) 37.195 10.447 ( -2.984 0.000 21.716) 21.920 10.898 ( 6.820 0.000 5.452) 8.731 11.107 ( 15.634 0.000 -6.147) 16.799 11.121 ( -0.731 0.000 0.936) 1.187 11.602 ( 1.363 0.000 -13.066) 13.137 12.135 ( 2.308 0.000 -2.001) 3.055 12.251 ( 3.223 0.000 -5.170) 6.092 12.782 ( 1.088 0.000 0.489) 1.193 13.030 ( -1.288 0.000 -8.404) 8.502 14.007 ( -2.712 0.000 -0.636) 2.786 14.023 ( -2.803 0.000 -1.276) 3.080 ======================= Grid point 794 (243/300) ======================= q-point: ( 0.20 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.202 ( -2.709 0.000 11.199) 11.522 5.529 ( -21.203 0.000 1.965) 21.294 7.569 ( -25.325 0.000 5.325) 25.879 7.981 ( -33.946 0.000 -7.763) 34.823 9.249 ( 2.664 0.000 7.085) 7.569 9.425 ( 2.325 0.000 3.423) 4.137 10.369 ( 19.293 0.000 22.518) 29.653 10.382 ( -2.282 0.000 19.572) 19.704 11.061 ( 8.137 0.000 8.749) 11.948 11.108 ( -0.626 0.000 3.270) 3.329 11.414 ( 12.713 0.000 -5.786) 13.968 11.644 ( 2.730 0.000 -11.452) 11.773 12.219 ( 6.364 0.000 -1.655) 6.576 12.357 ( 7.375 0.000 -5.077) 8.953 12.807 ( 1.188 0.000 -0.844) 1.457 12.993 ( -2.272 0.000 -7.828) 8.151 13.925 ( -5.329 0.000 -1.039) 5.430 13.938 ( -5.406 0.000 -1.282) 5.556 ======================= Grid point 795 (244/300) ======================= q-point: ( 0.30 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( -20.168 0.000 3.290) 20.435 5.110 ( -6.675 0.000 2.682) 7.193 7.126 ( -18.053 0.000 1.726) 18.135 7.321 ( -28.781 0.000 -5.364) 29.277 9.309 ( 3.093 0.000 8.526) 9.070 9.474 ( 1.635 0.000 5.270) 5.517 10.384 ( 2.901 0.000 18.227) 18.456 10.671 ( 10.588 0.000 16.198) 19.351 11.084 ( -1.802 0.000 6.881) 7.113 11.202 ( 5.142 0.000 9.154) 10.499 11.599 ( 5.946 0.000 -6.455) 8.776 11.704 ( 2.829 0.000 -9.939) 10.333 12.405 ( 11.700 0.000 -0.406) 11.707 12.542 ( 10.193 0.000 -3.150) 10.668 12.824 ( 0.503 0.000 -2.126) 2.185 12.944 ( -2.419 0.000 -6.883) 7.296 13.793 ( -7.450 0.000 -1.981) 7.709 13.807 ( -7.362 0.000 -1.832) 7.587 ======================= Grid point 796 (245/300) ======================= q-point: ( 0.40 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( -8.486 0.000 -0.854) 8.529 4.932 ( -10.172 0.000 -5.108) 11.383 6.838 ( -10.072 0.000 1.336) 10.160 6.874 ( -14.467 0.000 -0.454) 14.474 9.372 ( 3.067 0.000 9.335) 9.826 9.476 ( -1.285 0.000 7.378) 7.489 10.498 ( 7.816 0.000 16.773) 18.505 10.784 ( -0.634 0.000 14.486) 14.499 11.072 ( 2.445 0.000 7.151) 7.557 11.247 ( -1.028 0.000 8.459) 8.522 11.686 ( 3.246 0.000 -8.022) 8.654 11.744 ( 0.899 0.000 -8.986) 9.031 12.661 ( 12.114 0.000 0.079) 12.114 12.732 ( 7.171 0.000 -1.488) 7.324 12.829 ( 0.189 0.000 -1.683) 1.693 12.905 ( -1.208 0.000 -3.838) 4.024 13.638 ( -7.014 0.000 -3.817) 7.986 13.653 ( -7.125 0.000 -3.454) 7.918 ======================= Grid point 797 (246/300) ======================= q-point: (-0.50 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.757 ( -5.143 0.000 -5.919) 7.841 4.757 ( 5.143 0.000 -5.919) 7.841 6.732 ( -0.148 0.000 1.789) 1.795 6.732 ( 0.148 0.000 1.789) 1.795 9.432 ( -2.761 0.000 8.924) 9.342 9.432 ( 2.761 0.000 8.924) 9.342 10.672 ( -8.387 0.000 15.579) 17.693 10.672 ( 8.387 0.000 15.579) 17.693 11.172 ( -5.568 0.000 7.019) 8.959 11.172 ( 5.568 0.000 7.019) 8.959 11.737 ( -1.581 0.000 -8.516) 8.661 11.737 ( 1.581 0.000 -8.516) 8.661 12.801 ( -0.156 0.000 -6.546) 6.548 12.801 ( 0.156 0.000 -6.546) 6.548 12.870 ( -3.732 0.000 5.136) 6.349 12.870 ( 3.732 0.000 5.136) 6.349 13.561 ( -0.633 0.000 -5.278) 5.316 13.561 ( 0.633 0.000 -5.278) 5.316 ======================= Grid point 803 (247/300) ======================= q-point: ( 0.00 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.431 ( 0.000 18.227 17.354) 25.167 6.147 ( 0.000 13.273 -4.672) 14.071 8.516 ( 0.000 3.528 8.384) 9.096 8.786 ( 0.000 -2.841 0.145) 2.845 9.086 ( 0.000 -13.974 7.300) 15.766 9.383 ( 0.000 -9.259 6.088) 11.081 9.651 ( 0.000 6.626 22.330) 23.292 10.498 ( 0.000 2.235 20.302) 20.425 10.832 ( 0.000 -3.040 7.965) 8.525 10.900 ( 0.000 2.110 -8.353) 8.615 11.170 ( 0.000 4.402 -1.120) 4.543 11.627 ( 0.000 3.367 -13.270) 13.691 12.108 ( 0.000 -0.396 -2.283) 2.318 12.203 ( 0.000 -1.400 -4.622) 4.830 12.792 ( 0.000 1.769 0.094) 1.772 13.018 ( 0.000 -2.909 -7.985) 8.498 14.026 ( 0.000 -0.594 -0.398) 0.715 14.044 ( 0.000 -0.604 -1.234) 1.374 ======================= Grid point 804 (248/300) ======================= q-point: ( 0.10 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.422 ( -1.034 17.964 15.435) 23.707 6.022 ( -12.113 13.607 -2.012) 18.328 8.150 ( -27.627 2.569 8.404) 28.991 8.593 ( -20.365 -0.282 -2.774) 20.555 9.065 ( -1.557 -12.786 5.209) 13.894 9.365 ( -0.214 -7.636 1.550) 7.795 9.915 ( 20.531 2.452 26.766) 33.822 10.467 ( -3.830 0.926 19.619) 20.011 10.856 ( 7.091 -3.202 5.702) 9.646 11.068 ( 6.797 -1.071 0.843) 6.933 11.231 ( 8.299 7.367 -4.660) 12.036 11.641 ( 1.384 3.504 -12.816) 13.359 12.133 ( 2.571 -0.118 -2.247) 3.416 12.233 ( 3.108 -1.551 -4.720) 5.861 12.807 ( 1.334 2.033 -0.451) 2.473 13.012 ( -0.565 -2.211 -7.710) 8.041 13.982 ( -3.636 -1.393 -0.994) 4.018 14.034 ( -1.633 0.445 -0.695) 1.829 ======================= Grid point 805 (249/300) ======================= q-point: ( 0.20 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.380 ( -3.563 16.862 9.559) 19.708 5.678 ( -20.405 14.817 3.438) 25.451 7.588 ( -25.730 1.902 3.523) 26.040 8.026 ( -31.978 3.988 -6.000) 32.779 9.048 ( 0.769 -16.029 5.350) 16.916 9.437 ( 5.059 -2.694 4.596) 7.347 10.177 ( 2.136 -9.229 18.818) 21.068 10.507 ( 10.388 3.322 21.677) 24.266 11.018 ( 6.716 -2.493 8.864) 11.398 11.135 ( 2.455 1.219 4.716) 5.455 11.461 ( 10.962 4.392 -5.704) 13.114 11.684 ( 2.904 3.813 -11.817) 12.752 12.216 ( 5.610 -0.294 -2.193) 6.030 12.344 ( 8.137 -0.914 -4.021) 9.122 12.841 ( 1.903 2.954 -1.595) 3.859 12.995 ( -1.196 -0.465 -7.054) 7.170 13.887 ( -5.631 -1.660 -1.531) 6.067 13.971 ( -4.528 1.541 -0.585) 4.819 ======================= Grid point 806 (250/300) ======================= q-point: ( 0.30 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.206 ( -16.340 12.500 2.356) 20.707 5.315 ( -10.825 18.886 3.544) 22.055 7.136 ( -18.454 1.507 0.126) 18.516 7.408 ( -26.703 7.632 -4.022) 28.062 9.098 ( 3.817 -16.844 6.760) 18.547 9.496 ( -0.241 -1.476 6.479) 6.649 10.204 ( 3.813 -14.152 15.628) 21.425 10.702 ( 5.923 -0.622 17.826) 18.794 11.084 ( 0.958 0.679 8.475) 8.556 11.214 ( 4.269 0.836 8.206) 9.288 11.633 ( 6.090 3.028 -5.892) 8.998 11.748 ( 2.770 4.376 -10.443) 11.656 12.365 ( 9.052 -3.440 -2.482) 9.997 12.555 ( 11.818 1.438 -0.516) 11.916 12.880 ( 1.781 4.692 -2.424) 5.573 12.965 ( -1.542 1.421 -6.282) 6.623 13.758 ( -6.763 -0.979 -2.446) 7.258 13.852 ( -7.080 2.409 -1.134) 7.564 ======================= Grid point 807 (251/300) ======================= q-point: ( 0.40 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.928 ( -7.956 14.029 -0.601) 16.139 5.101 ( -11.193 16.371 -5.084) 20.473 6.855 ( -8.489 3.460 0.943) 9.215 6.986 ( -14.642 9.053 -0.496) 17.222 9.194 ( 5.486 -14.986 8.112) 17.902 9.433 ( -5.162 -6.003 8.275) 11.453 10.348 ( 9.500 -13.125 14.081) 21.466 10.711 ( -4.741 -7.900 14.205) 16.931 11.126 ( 3.713 4.391 8.860) 10.562 11.260 ( -0.150 0.973 8.908) 8.962 11.726 ( 3.364 3.340 -7.150) 8.579 11.782 ( 0.545 4.284 -9.495) 10.431 12.563 ( 9.622 -5.787 -2.779) 11.567 12.774 ( 6.897 0.288 3.980) 7.968 12.886 ( 0.220 5.403 -5.657) 7.825 12.968 ( 1.884 5.542 -1.652) 6.082 13.628 ( -5.371 0.689 -4.081) 6.780 13.696 ( -7.638 2.868 -2.772) 8.617 ======================= Grid point 808 (252/300) ======================= q-point: (-0.50 0.11 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( -5.661 14.897 -5.582) 16.886 4.911 ( 5.661 14.897 -5.582) 16.886 6.804 ( -3.343 7.045 1.437) 7.929 6.804 ( 3.343 7.045 1.437) 7.929 9.314 ( -6.126 -11.151 8.770) 15.453 9.314 ( 6.126 -11.151 8.770) 15.453 10.552 ( -9.794 -11.136 13.534) 20.077 10.552 ( 9.794 -11.136 13.534) 20.077 11.213 ( -4.018 3.067 8.763) 10.117 11.213 ( 4.018 3.067 8.763) 10.117 11.773 ( -1.333 3.698 -8.471) 9.338 11.773 ( 1.333 3.698 -8.471) 9.338 12.732 ( -6.621 -4.164 -2.494) 8.210 12.732 ( 6.621 -4.164 -2.494) 8.210 12.972 ( -3.043 6.993 1.406) 7.755 12.972 ( 3.043 6.993 1.406) 7.755 13.584 ( -2.035 2.422 -4.928) 5.856 13.584 ( 2.035 2.422 -4.928) 5.856 ======================= Grid point 814 (253/300) ======================= q-point: ( 0.00 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.912 ( 0.000 28.362 14.513) 31.860 6.501 ( 0.000 21.131 -2.803) 21.316 8.608 ( 0.000 4.417 5.115) 6.758 8.684 ( 0.000 -8.078 2.917) 8.589 8.739 ( 0.000 -18.665 10.655) 21.492 9.189 ( 0.000 -8.908 0.864) 8.950 9.805 ( 0.000 8.739 24.487) 26.000 10.519 ( 0.000 -0.677 16.663) 16.677 10.771 ( 0.000 -2.548 8.330) 8.711 10.934 ( 0.000 0.853 -2.134) 2.299 11.320 ( 0.000 10.459 -5.033) 11.607 11.698 ( 0.000 3.326 -11.898) 12.354 12.104 ( 0.000 0.147 -2.920) 2.924 12.178 ( 0.000 -0.662 -4.318) 4.368 12.807 ( 0.000 -1.246 -2.365) 2.673 12.909 ( 0.000 -8.375 -6.358) 10.515 14.026 ( 0.000 0.874 -0.209) 0.898 14.036 ( 0.000 0.113 -0.682) 0.691 ======================= Grid point 815 (254/300) ======================= q-point: ( 0.10 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.893 ( -2.079 27.557 12.258) 30.232 6.394 ( -10.355 22.799 0.392) 25.043 8.215 ( -28.360 3.108 4.421) 28.871 8.525 ( -13.421 -8.265 5.740) 16.774 8.798 ( -3.492 -11.460 2.390) 12.216 9.137 ( -0.098 -13.719 1.243) 13.776 10.019 ( 14.683 7.583 24.312) 29.397 10.455 ( -6.352 -1.971 16.174) 17.488 10.802 ( 7.799 -1.984 7.449) 10.966 11.047 ( 5.897 -1.353 3.477) 6.978 11.401 ( 7.301 9.389 -5.961) 13.304 11.722 ( 2.177 4.288 -12.006) 12.933 12.138 ( 3.488 0.939 -2.854) 4.604 12.204 ( 2.962 -0.873 -3.947) 5.012 12.831 ( 2.309 -0.444 -2.582) 3.492 12.919 ( 0.924 -7.601 -6.160) 9.828 13.973 ( -3.716 0.831 -0.769) 3.885 14.043 ( -0.780 0.663 -0.222) 1.048 ======================= Grid point 816 (255/300) ======================= q-point: ( 0.20 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.807 ( -7.514 24.136 5.638) 25.900 6.110 ( -15.961 27.932 7.000) 32.924 7.636 ( -26.433 2.303 -0.088) 26.533 8.104 ( -26.388 2.734 -1.575) 26.576 8.691 ( -2.280 -18.316 3.650) 18.815 9.265 ( 8.707 -14.227 5.314) 17.506 10.055 ( -8.870 -2.546 15.128) 17.720 10.517 ( 9.378 -1.588 20.395) 22.504 10.981 ( 7.952 -1.309 10.821) 13.492 11.142 ( 4.084 -0.547 5.571) 6.929 11.567 ( 8.045 5.763 -5.485) 11.314 11.782 ( 3.859 5.530 -12.034) 13.794 12.206 ( 2.941 -0.619 -3.401) 4.539 12.348 ( 11.147 2.039 -1.608) 11.446 12.894 ( 3.616 1.375 -2.857) 4.810 12.941 ( 1.128 -5.423 -5.682) 7.935 13.884 ( -4.924 1.699 -1.310) 5.371 13.998 ( -3.592 1.333 -0.194) 3.837 ======================= Grid point 817 (256/300) ======================= q-point: ( 0.30 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.555 ( -15.358 21.553 2.537) 26.586 5.819 ( -12.996 30.298 2.933) 33.098 7.189 ( -16.818 3.223 -1.135) 17.161 7.579 ( -23.183 8.344 -3.057) 24.827 8.716 ( 4.111 -20.181 5.868) 21.415 9.377 ( -0.246 -10.727 6.106) 12.345 9.919 ( -0.981 -12.507 14.132) 18.897 10.606 ( -1.552 -8.345 15.463) 17.640 11.111 ( 5.195 1.500 11.776) 12.958 11.225 ( 3.681 0.036 6.970) 7.882 11.708 ( 5.804 4.558 -5.300) 9.086 11.874 ( 4.244 7.863 -10.174) 13.541 12.289 ( 5.974 -3.832 -3.797) 8.049 12.603 ( 12.500 3.379 2.174) 13.130 12.936 ( 0.035 -2.195 -5.824) 6.224 12.995 ( 4.617 3.150 -2.082) 5.964 13.779 ( -5.247 3.173 -2.208) 6.517 13.898 ( -6.111 2.365 -0.755) 6.596 ======================= Grid point 818 (257/300) ======================= q-point: ( 0.40 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.308 ( -6.883 22.976 -0.018) 23.985 5.539 ( -14.053 26.079 -5.192) 30.076 6.973 ( -4.434 7.609 1.113) 8.877 7.196 ( -14.370 11.020 -1.764) 18.194 8.843 ( 8.103 -18.847 7.449) 21.826 9.250 ( -10.016 -11.331 8.167) 17.188 10.034 ( 10.119 -17.361 12.200) 23.508 10.485 ( -9.252 -14.133 12.296) 20.893 11.201 ( 3.729 2.609 10.381) 11.334 11.273 ( 0.880 0.197 8.139) 8.188 11.809 ( 4.294 5.332 -6.380) 9.358 11.917 ( -0.112 8.658 -8.066) 11.833 12.455 ( 9.680 -5.133 -3.564) 11.522 12.757 ( -0.362 -2.062 1.886) 2.818 12.979 ( 6.455 3.510 -2.802) 7.864 13.088 ( 3.664 5.497 0.371) 6.616 13.683 ( -3.702 4.763 -3.614) 7.032 13.762 ( -6.807 3.739 -2.323) 8.106 ======================= Grid point 819 (258/300) ======================= q-point: (-0.50 0.22 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.310 ( -6.788 23.807 -4.776) 25.213 5.310 ( 6.788 23.807 -4.776) 25.213 6.991 ( -5.757 10.866 0.419) 12.304 6.991 ( 5.757 10.866 0.419) 12.304 9.034 ( -10.421 -15.503 8.466) 20.509 9.034 ( 10.421 -15.503 8.466) 20.509 10.265 ( -11.747 -16.970 11.526) 23.639 10.265 ( 11.747 -16.970 11.526) 23.639 11.261 ( -1.961 1.416 9.080) 9.397 11.261 ( 1.961 1.416 9.080) 9.397 11.883 ( -2.857 7.100 -7.232) 10.530 11.883 ( 2.857 7.100 -7.232) 10.530 12.647 ( -8.425 -4.455 -2.247) 9.792 12.647 ( 8.425 -4.455 -2.247) 9.792 13.103 ( -3.101 5.547 2.031) 6.672 13.103 ( 3.101 5.547 2.031) 6.672 13.660 ( -2.149 5.070 -4.275) 6.971 13.660 ( 2.149 5.070 -4.275) 6.971 ======================= Grid point 825 (259/300) ======================= q-point: ( 0.00 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.498 ( 0.000 29.101 11.683) 31.359 6.937 ( 0.000 21.127 -0.407) 21.131 8.313 ( 0.000 -20.219 8.405) 21.896 8.448 ( 0.000 -15.042 4.184) 15.613 8.750 ( 0.000 6.747 5.940) 8.989 9.061 ( 0.000 -4.321 -1.330) 4.521 9.990 ( 0.000 9.537 24.500) 26.291 10.466 ( 0.000 -4.561 15.261) 15.928 10.749 ( 0.000 0.696 8.525) 8.554 10.928 ( 0.000 -1.497 3.080) 3.424 11.561 ( 0.000 12.698 -8.026) 15.022 11.754 ( 0.000 2.388 -10.030) 10.310 12.127 ( 0.000 2.677 -3.563) 4.457 12.189 ( 0.000 1.998 -4.706) 5.113 12.692 ( 0.000 -12.682 -4.952) 13.615 12.715 ( 0.000 -8.176 -5.102) 9.637 14.054 ( 0.000 1.507 0.175) 1.517 14.058 ( 0.000 1.960 0.026) 1.960 ======================= Grid point 826 (260/300) ======================= q-point: ( 0.10 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.455 ( -4.512 27.589 8.852) 29.324 6.884 ( -5.074 24.682 3.212) 25.402 8.119 ( -17.307 -14.730 3.345) 22.972 8.429 ( -18.292 3.414 8.330) 20.387 8.569 ( 1.240 -14.404 4.636) 15.183 8.897 ( -11.877 -9.146 -2.149) 15.144 10.187 ( 12.167 8.336 22.096) 26.566 10.412 ( -7.041 -1.941 14.456) 16.196 10.780 ( 7.122 0.006 8.368) 10.988 11.004 ( 5.071 -3.187 5.757) 8.308 11.588 ( 3.007 8.918 -7.361) 11.948 11.799 ( 3.208 3.037 -10.356) 11.259 12.180 ( 3.202 3.223 -4.149) 6.153 12.220 ( 5.433 3.354 -2.994) 7.051 12.712 ( 1.974 -12.364 -5.488) 13.670 12.766 ( 4.565 -6.522 -4.241) 9.020 14.012 ( -2.803 2.695 -0.152) 3.892 14.063 ( -0.684 1.231 0.122) 1.414 ======================= Grid point 827 (261/300) ======================= q-point: ( 0.20 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.300 ( -11.014 24.959 4.028) 27.577 6.737 ( -9.548 32.937 8.183) 35.255 7.617 ( -26.445 -6.435 -1.709) 27.271 8.122 ( -18.347 0.569 2.536) 18.530 8.373 ( -8.663 -13.248 2.029) 15.959 8.913 ( 8.308 -19.849 5.112) 22.117 10.072 ( -15.329 3.951 12.320) 20.059 10.459 ( 3.239 -4.236 17.176) 17.984 10.967 ( 9.544 0.162 11.715) 15.112 11.112 ( 5.510 -2.432 6.759) 9.053 11.686 ( 6.275 6.286 -5.366) 10.377 11.880 ( 5.601 3.482 -10.663) 12.538 12.208 ( 0.759 1.580 -3.996) 4.364 12.433 ( 12.866 6.114 -0.002) 14.245 12.764 ( 2.962 -10.902 -6.098) 12.838 12.885 ( 6.875 -3.188 -2.675) 8.036 13.946 ( -3.650 3.885 -0.699) 5.377 14.026 ( -2.923 1.359 -0.134) 3.226 ======================= Grid point 828 (262/300) ======================= q-point: ( 0.30 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.028 ( -14.211 25.066 2.839) 28.954 6.462 ( -17.900 32.578 0.847) 37.182 7.212 ( -11.669 -2.654 0.504) 11.978 7.698 ( -19.564 2.404 -3.812) 20.076 8.358 ( 4.485 -13.388 6.347) 15.480 9.065 ( 4.613 -19.895 5.669) 21.195 9.779 ( -11.236 -0.576 12.904) 17.120 10.395 ( -8.344 -12.355 12.779) 19.636 11.133 ( 6.397 0.814 11.383) 13.083 11.212 ( 3.997 -1.224 6.685) 7.884 11.817 ( 6.264 6.324 -4.355) 9.909 12.035 ( 8.257 7.060 -8.801) 13.982 12.227 ( 1.876 -1.468 -3.598) 4.315 12.664 ( 7.051 0.438 2.730) 7.574 12.844 ( 6.604 -3.894 -5.752) 9.585 13.033 ( 7.276 -0.230 -0.406) 7.291 13.868 ( -3.885 4.996 -1.614) 6.531 13.946 ( -4.835 2.262 -0.887) 5.411 ======================= Grid point 829 (263/300) ======================= q-point: ( 0.40 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.799 ( -6.569 25.195 0.287) 26.039 6.072 ( -18.069 25.357 -5.633) 31.642 7.113 ( 0.299 5.095 2.084) 5.512 7.374 ( -12.330 5.271 -3.536) 13.868 8.513 ( 10.371 -11.853 7.527) 17.456 9.015 ( -9.675 -12.233 6.569) 16.923 9.713 ( 5.112 -12.638 12.523) 18.512 10.170 ( -12.792 -16.882 11.121) 23.923 11.229 ( 3.237 0.507 9.149) 9.718 11.267 ( 1.391 -0.732 6.878) 7.055 11.939 ( 5.655 7.396 -4.825) 10.487 12.107 ( -1.224 10.041 -6.060) 11.792 12.354 ( 9.830 -5.163 -3.794) 11.734 12.679 ( -3.778 -6.033 -1.224) 7.223 13.039 ( 9.981 2.976 1.014) 10.465 13.160 ( 4.548 1.572 2.159) 5.274 13.795 ( -2.915 5.734 -2.917) 7.063 13.841 ( -5.034 3.888 -2.393) 6.796 ======================= Grid point 830 (264/300) ======================= q-point: (-0.50 0.33 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.803 ( -7.200 24.183 -4.006) 25.548 5.803 ( 7.200 24.183 -4.006) 25.548 7.185 ( -6.446 6.985 -0.742) 9.533 7.185 ( 6.446 6.985 -0.742) 9.533 8.761 ( -13.377 -10.228 7.794) 18.556 8.761 ( 13.377 -10.228 7.794) 18.556 9.908 ( -12.296 -17.859 11.168) 24.390 9.908 ( 12.296 -17.859 11.168) 24.390 11.271 ( -0.962 -0.140 7.625) 7.687 11.271 ( 0.962 -0.140 7.625) 7.687 12.043 ( -4.413 8.580 -5.306) 11.012 12.043 ( 4.414 8.580 -5.306) 11.012 12.549 ( -8.502 -5.503 -2.834) 10.517 12.549 ( 8.502 -5.503 -2.834) 10.517 13.182 ( -3.126 2.479 3.570) 5.354 13.182 ( 3.126 2.479 3.570) 5.354 13.771 ( -1.121 5.509 -3.739) 6.752 13.771 ( 1.121 5.509 -3.739) 6.752 ======================= Grid point 836 (265/300) ======================= q-point: ( 0.00 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.023 ( 0.000 22.026 9.159) 23.854 7.241 ( 0.000 4.498 3.748) 5.855 8.002 ( 0.000 -6.510 7.125) 9.651 8.132 ( 0.000 -14.898 4.084) 15.447 8.881 ( 0.000 6.073 2.914) 6.735 8.983 ( 0.000 -4.205 0.072) 4.205 10.177 ( 0.000 9.065 21.333) 23.180 10.344 ( 0.000 -7.473 17.051) 18.616 10.797 ( 0.000 3.713 8.284) 9.078 10.875 ( 0.000 -3.628 6.628) 7.556 11.761 ( 0.000 5.735 -8.765) 10.475 11.793 ( 0.000 1.177 -8.584) 8.664 12.245 ( 0.000 9.833 -4.330) 10.744 12.266 ( 0.000 5.960 -4.643) 7.555 12.443 ( 0.000 -11.198 -5.363) 12.416 12.495 ( 0.000 -13.032 -6.685) 14.646 14.084 ( 0.000 1.138 0.562) 1.269 14.088 ( 0.000 0.782 0.384) 0.871 ======================= Grid point 837 (266/300) ======================= q-point: ( 0.10 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.959 ( -5.990 22.150 6.786) 23.928 7.223 ( -1.734 2.126 5.215) 5.893 7.909 ( -8.832 1.829 5.769) 10.706 8.194 ( 2.395 -19.791 6.218) 20.883 8.576 ( -22.243 8.201 2.673) 23.856 8.739 ( -19.421 -7.794 -0.620) 20.936 10.318 ( 7.758 4.523 18.612) 20.666 10.378 ( -1.589 -1.901 15.058) 15.260 10.820 ( 5.041 4.105 8.817) 10.955 10.920 ( 4.373 -5.095 7.906) 10.372 11.742 ( 0.616 6.243 -7.887) 10.078 11.821 ( 1.812 -1.361 -8.521) 8.818 12.270 ( 1.196 6.397 -5.111) 8.275 12.354 ( 8.419 8.389 -1.493) 11.979 12.466 ( 3.048 -10.104 -7.362) 12.868 12.586 ( 7.809 -10.832 -5.006) 14.261 14.062 ( -1.779 1.922 0.283) 2.634 14.080 ( -1.093 0.161 0.304) 1.146 ======================= Grid point 838 (267/300) ======================= q-point: ( 0.20 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.789 ( -10.777 23.672 4.004) 26.316 7.172 ( -3.480 -6.600 5.487) 9.262 7.548 ( -26.166 17.435 2.538) 31.545 8.004 ( -21.690 -19.051 0.841) 28.881 8.278 ( -4.155 8.058 4.458) 10.103 8.533 ( 1.945 -16.734 3.257) 17.158 10.194 ( -13.649 7.600 11.800) 19.578 10.346 ( -6.143 -7.041 13.564) 16.471 10.993 ( 9.512 2.344 10.745) 14.541 11.052 ( 7.494 -3.301 8.580) 11.861 11.811 ( 5.793 5.803 -5.446) 9.844 11.895 ( 6.035 -2.054 -7.413) 9.777 12.298 ( 1.443 7.585 -4.852) 9.119 12.485 ( 3.713 -8.429 -1.949) 9.414 12.627 ( 12.083 5.021 -4.616) 13.875 12.776 ( 10.268 -7.351 -2.459) 12.865 14.015 ( -2.803 2.635 -0.307) 3.860 14.042 ( -2.617 -0.086 -0.189) 2.625 ======================= Grid point 839 (268/300) ======================= q-point: ( 0.30 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.524 ( -14.625 23.802 2.235) 28.025 6.898 ( -25.908 -6.087 -2.536) 26.734 7.192 ( -3.257 16.893 4.343) 17.744 7.586 ( -16.482 -14.900 -3.042) 22.426 8.309 ( 5.478 9.499 6.372) 12.682 8.640 ( 6.277 -21.055 5.519) 22.653 9.884 ( -15.516 10.042 11.475) 21.755 10.131 ( -13.581 -13.648 11.332) 22.341 11.152 ( 5.849 1.179 9.144) 10.918 11.181 ( 4.855 -1.703 7.405) 9.017 11.949 ( 7.187 6.453 -3.934) 10.429 12.058 ( 9.230 -3.948 -5.055) 11.239 12.320 ( 0.558 9.858 -4.838) 10.996 12.536 ( 1.164 -10.633 -3.175) 11.158 12.882 ( 12.264 5.283 -0.063) 13.354 12.985 ( 9.820 -4.291 0.531) 10.730 13.951 ( -3.389 2.907 -1.264) 4.641 13.976 ( -3.772 0.366 -1.105) 3.947 ======================= Grid point 840 (269/300) ======================= q-point: ( 0.40 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.258 ( -9.551 18.934 -0.864) 21.225 6.425 ( -18.317 5.766 -4.826) 19.800 7.183 ( 1.289 4.941 2.069) 5.510 7.347 ( -7.820 -7.836 -2.680) 11.390 8.467 ( 9.565 7.818 6.677) 14.043 8.735 ( 1.588 -15.777 5.235) 16.699 9.624 ( -8.094 4.532 12.512) 15.575 9.841 ( -13.911 -15.208 11.228) 23.470 11.236 ( 2.635 0.409 7.385) 7.852 11.249 ( 1.952 -0.922 6.565) 6.911 12.091 ( 6.577 7.533 -3.791) 10.694 12.226 ( 5.079 -5.129 -3.369) 7.966 12.327 ( 1.648 9.217 -4.874) 10.555 12.522 ( -2.623 -9.307 -3.309) 10.220 13.102 ( 8.789 3.187 3.097) 9.849 13.155 ( 6.298 -1.801 3.281) 7.326 13.885 ( -2.854 2.764 -2.562) 4.728 13.898 ( -3.531 1.375 -2.481) 4.530 ======================= Grid point 841 (270/300) ======================= q-point: (-0.50 0.44 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.194 ( -4.005 12.315 -3.890) 13.521 6.194 ( 4.005 12.315 -3.890) 13.521 7.235 ( -3.804 -0.918 -0.540) 3.950 7.235 ( 3.804 -0.918 -0.540) 3.950 8.662 ( -8.156 -0.643 5.710) 9.977 8.662 ( 8.156 -0.643 5.710) 9.977 9.614 ( -6.824 -9.373 12.281) 16.889 9.614 ( 6.824 -9.373 12.281) 16.889 11.265 ( -0.334 -0.262 6.547) 6.561 11.265 ( 0.334 -0.262 6.547) 6.561 12.206 ( -4.420 6.810 -3.857) 8.988 12.206 ( 4.420 6.810 -3.857) 8.988 12.432 ( -5.956 -5.534 -3.604) 8.893 12.432 ( 5.956 -5.534 -3.604) 8.893 13.211 ( -1.341 0.633 4.618) 4.850 13.211 ( 1.341 0.633 4.618) 4.850 13.854 ( -0.311 2.318 -3.429) 4.151 13.854 ( 0.311 2.318 -3.429) 4.151 ======================= Grid point 891 (271/300) ======================= q-point: ( 0.00 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.574 ( 0.000 0.000 15.286) 15.286 5.839 ( 0.000 0.000 -11.420) 11.420 8.641 ( 0.000 0.000 7.081) 7.081 8.755 ( 0.000 0.000 -4.514) 4.514 9.358 ( 0.000 0.000 6.145) 6.145 9.464 ( 0.000 0.000 -4.400) 4.400 10.105 ( 0.000 0.000 25.906) 25.906 10.549 ( 0.000 0.000 -18.722) 18.722 10.911 ( 0.000 0.000 19.631) 19.631 11.004 ( 0.000 0.000 6.071) 6.071 11.100 ( 0.000 0.000 -3.444) 3.444 11.280 ( 0.000 0.000 -17.412) 17.412 12.101 ( 0.000 0.000 0.761) 0.761 12.140 ( 0.000 0.000 -3.080) 3.080 12.812 ( 0.000 0.000 3.314) 3.314 12.902 ( 0.000 0.000 -5.867) 5.867 14.029 ( 0.000 0.000 -0.027) 0.027 14.034 ( 0.000 0.000 -0.495) 0.495 ======================= Grid point 892 (272/300) ======================= q-point: ( 0.10 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.530 ( -4.410 0.000 13.376) 14.084 5.756 ( -8.195 0.000 -9.334) 12.421 8.309 ( -28.071 0.000 8.888) 29.444 8.468 ( -26.438 0.000 -7.271) 27.420 9.328 ( 0.141 0.000 5.326) 5.327 9.410 ( -1.274 0.000 -2.738) 3.020 10.394 ( 20.520 0.000 22.367) 30.353 10.746 ( 5.356 0.000 -7.286) 9.043 10.878 ( 8.724 0.000 8.988) 12.525 11.079 ( -0.652 0.000 -5.744) 5.781 11.120 ( 7.688 0.000 7.155) 10.502 11.330 ( 4.067 0.000 -13.737) 14.327 12.124 ( 2.406 0.000 0.851) 2.552 12.166 ( 2.760 0.000 -3.345) 4.337 12.813 ( 0.087 0.000 2.799) 2.800 12.894 ( -0.739 0.000 -5.489) 5.539 14.001 ( -2.806 0.000 -0.026) 2.806 14.005 ( -2.784 0.000 -0.504) 2.829 ======================= Grid point 893 (273/300) ======================= q-point: ( 0.20 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.389 ( -9.641 0.000 7.841) 12.427 5.506 ( -16.111 0.000 -3.875) 16.571 7.689 ( -29.817 0.000 6.741) 30.570 7.830 ( -32.870 0.000 -7.505) 33.716 9.374 ( 3.625 0.000 5.295) 6.417 9.443 ( 3.552 0.000 -1.483) 3.849 10.707 ( -2.301 0.000 11.949) 12.169 10.724 ( 10.018 0.000 11.581) 15.313 11.126 ( 5.367 0.000 -0.046) 5.367 11.184 ( 12.394 0.000 -0.353) 12.399 11.291 ( 9.101 0.000 -0.950) 9.151 11.423 ( 4.938 0.000 -10.178) 11.313 12.214 ( 6.964 0.000 1.235) 7.073 12.266 ( 7.492 0.000 -3.906) 8.449 12.813 ( -0.168 0.000 1.576) 1.585 12.872 ( -1.366 0.000 -4.534) 4.736 13.915 ( -5.631 0.000 -0.058) 5.631 13.920 ( -5.574 0.000 -0.578) 5.604 ======================= Grid point 894 (274/300) ======================= q-point: ( 0.30 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 475 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.131 ( -19.440 0.000 1.238) 19.479 5.139 ( -14.553 0.000 0.423) 14.559 7.168 ( -20.614 0.000 2.619) 20.780 7.231 ( -24.418 0.000 -3.842) 24.719 9.453 ( 3.809 0.000 5.734) 6.884 9.519 ( 3.255 0.000 -0.663) 3.322 10.704 ( 2.377 0.000 13.568) 13.775 10.856 ( 5.118 0.000 0.440) 5.137 11.214 ( 1.476 0.000 8.176) 8.308 11.343 ( 3.830 0.000 3.008) 4.870 11.445 ( 5.453 0.000 -6.156) 8.224 11.522 ( 4.340 0.000 -8.045) 9.141 12.415 ( 12.235 0.000 1.660) 12.347 12.470 ( 11.732 0.000 -3.696) 12.300 12.808 ( -0.086 0.000 0.484) 0.492 12.845 ( -0.976 0.000 -3.324) 3.464 13.774 ( -8.187 0.000 -0.203) 8.190 13.780 ( -8.067 0.000 -0.857) 8.112 ======================= Grid point 895 (275/300) ======================= q-point: ( 0.40 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 480 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.788 ( -12.456 0.000 1.439) 12.538 4.841 ( -13.121 0.000 -3.850) 13.674 6.858 ( -10.079 0.000 0.671) 10.101 6.867 ( -11.403 0.000 -0.321) 11.407 9.519 ( 2.578 0.000 5.187) 5.792 9.561 ( 0.842 0.000 1.089) 1.376 10.801 ( 6.754 0.000 13.422) 15.026 10.963 ( 4.597 0.000 -0.058) 4.597 11.188 ( -2.647 0.000 7.823) 8.259 11.333 ( -4.190 0.000 -2.079) 4.677 11.540 ( 3.996 0.000 -3.558) 5.350 11.587 ( 1.937 0.000 -6.177) 6.473 12.644 ( 7.580 0.000 -0.379) 7.590 12.670 ( 5.518 0.000 -2.992) 6.276 12.840 ( 4.707 0.000 1.580) 4.965 12.869 ( 4.589 0.000 -1.219) 4.748 13.595 ( -8.634 0.000 -0.702) 8.662 13.604 ( -8.627 0.000 -1.522) 8.760 ======================= Grid point 896 (276/300) ======================= q-point: (-0.50 0.00 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 285 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.675 ( -1.812 0.000 -2.166) 2.824 4.675 ( 1.812 0.000 -2.166) 2.824 6.755 ( -0.006 0.000 0.588) 0.588 6.755 ( 0.006 0.000 0.588) 0.588 9.557 ( -1.126 0.000 3.394) 3.576 9.557 ( 1.126 0.000 3.394) 3.576 10.947 ( -6.184 0.000 11.061) 12.673 10.947 ( 6.184 0.000 11.061) 12.673 11.217 ( -5.746 0.000 -2.398) 6.226 11.217 ( 5.746 0.000 -2.398) 6.226 11.595 ( -1.201 0.000 -4.306) 4.471 11.595 ( 1.201 0.000 -4.306) 4.471 12.704 ( -0.402 0.000 -2.613) 2.644 12.704 ( 0.402 0.000 -2.613) 2.644 12.945 ( -1.176 0.000 2.005) 2.325 12.945 ( 1.176 0.000 2.005) 2.325 13.489 ( -0.441 0.000 -1.892) 1.943 13.489 ( 0.441 0.000 -1.892) 1.943 ======================= Grid point 902 (277/300) ======================= q-point: ( 0.00 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.743 ( 0.000 16.252 14.362) 21.688 5.991 ( 0.000 14.693 -10.644) 18.143 8.659 ( 0.000 1.672 6.030) 6.258 8.752 ( 0.000 -0.543 -3.349) 3.393 9.231 ( 0.000 -11.860 7.199) 13.874 9.353 ( 0.000 -10.233 -4.833) 11.317 10.159 ( 0.000 5.059 24.959) 25.467 10.585 ( 0.000 3.308 -17.166) 17.482 10.901 ( 0.000 -1.002 12.936) 12.975 10.961 ( 0.000 -3.461 4.505) 5.681 11.153 ( 0.000 5.040 1.047) 5.148 11.342 ( 0.000 5.173 -14.997) 15.864 12.092 ( 0.000 -0.805 0.590) 0.998 12.128 ( 0.000 -1.063 -2.931) 3.118 12.817 ( 0.000 0.040 2.451) 2.451 12.890 ( 0.000 -1.535 -5.088) 5.314 14.023 ( 0.000 -0.444 0.044) 0.446 14.027 ( 0.000 -0.434 -0.483) 0.650 ======================= Grid point 903 (278/300) ======================= q-point: ( 0.10 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.692 ( -5.184 15.418 11.642) 20.003 5.917 ( -7.269 15.744 -7.705) 18.976 8.292 ( -29.385 -1.032 5.077) 29.838 8.524 ( -23.831 4.549 -3.242) 24.477 9.150 ( -3.855 -14.289 2.768) 15.057 9.373 ( 3.999 -6.614 -0.276) 7.734 10.385 ( 13.942 0.246 20.033) 24.409 10.731 ( 2.273 -1.493 -1.925) 3.331 10.868 ( 12.631 -0.725 2.674) 12.931 11.104 ( 5.713 -0.191 2.257) 6.146 11.174 ( 3.991 6.870 1.845) 8.157 11.375 ( 2.945 4.133 -13.378) 14.308 12.117 ( 2.656 -0.560 0.631) 2.786 12.155 ( 2.851 -0.974 -3.094) 4.319 12.819 ( 0.223 0.286 1.581) 1.622 12.893 ( 0.197 -0.718 -4.333) 4.396 13.970 ( -3.923 -1.410 -0.299) 4.180 14.026 ( -1.429 0.771 -0.151) 1.631 ======================= Grid point 904 (279/300) ======================= q-point: ( 0.20 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.525 ( -11.461 13.157 4.615) 18.049 5.697 ( -14.226 18.416 -0.659) 23.280 7.653 ( -30.332 -1.799 2.412) 30.481 7.928 ( -31.146 7.595 -3.254) 32.224 9.127 ( 1.486 -17.318 2.284) 17.531 9.495 ( 6.380 -1.933 1.371) 6.806 10.453 ( -2.969 -12.304 8.150) 15.054 10.879 ( 9.290 2.444 14.663) 17.529 11.136 ( 5.593 1.578 2.509) 6.330 11.201 ( 9.439 1.120 0.743) 9.535 11.335 ( 9.570 4.752 -3.350) 11.198 11.451 ( 4.290 2.743 -10.862) 11.996 12.194 ( 4.853 -1.666 -0.190) 5.135 12.276 ( 9.829 1.101 -2.298) 10.154 12.829 ( 0.892 1.659 0.265) 1.902 12.892 ( -0.434 0.891 -3.210) 3.359 13.868 ( -6.016 -1.761 -0.443) 6.284 13.965 ( -4.613 1.936 -0.114) 5.004 ======================= Grid point 905 (280/300) ======================= q-point: ( 0.30 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.232 ( -16.387 12.229 0.534) 20.454 5.361 ( -17.899 19.080 1.125) 26.186 7.137 ( -19.474 -0.169 0.033) 19.475 7.355 ( -23.862 8.954 -1.377) 25.524 9.195 ( 4.814 -18.049 2.752) 18.881 9.580 ( 1.227 -0.990 2.114) 2.637 10.436 ( 2.665 -16.996 6.902) 18.537 10.982 ( 1.243 -0.256 9.213) 9.300 11.194 ( 1.494 2.524 2.926) 4.143 11.361 ( 5.149 0.585 7.044) 8.745 11.506 ( 6.179 5.462 -5.476) 9.900 11.540 ( 4.061 2.445 -9.714) 10.809 12.329 ( 8.424 -5.222 -1.016) 9.963 12.539 ( 14.964 4.083 -0.688) 15.526 12.852 ( -0.283 3.209 -0.379) 3.244 12.879 ( 0.946 3.153 -2.487) 4.126 13.728 ( -7.539 -1.129 -0.707) 7.656 13.839 ( -7.698 2.886 -0.265) 8.226 ======================= Grid point 906 (281/300) ======================= q-point: ( 0.40 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.930 ( -11.268 13.966 0.625) 17.956 5.017 ( -14.431 16.765 -2.937) 22.315 6.867 ( -7.398 3.482 0.297) 8.182 6.981 ( -12.904 8.446 -0.109) 15.423 9.310 ( 6.161 -15.917 3.207) 17.366 9.544 ( -4.169 -5.555 2.905) 7.528 10.562 ( 8.902 -16.632 6.525) 19.961 10.932 ( -6.113 -9.854 7.002) 13.546 11.239 ( 3.678 7.324 2.855) 8.678 11.403 ( -1.139 2.779 5.623) 6.375 11.592 ( 2.610 5.558 -5.157) 8.019 11.599 ( 1.950 2.350 -7.569) 8.162 12.513 ( 8.930 -6.378 -1.617) 11.092 12.791 ( -4.563 0.998 -1.920) 5.050 12.839 ( 13.308 5.284 1.032) 14.356 12.955 ( 4.952 6.528 -0.236) 8.197 13.576 ( -6.719 0.650 -1.271) 6.869 13.662 ( -9.189 3.444 -0.807) 9.847 ======================= Grid point 907 (282/300) ======================= q-point: (-0.50 0.11 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.834 ( -2.461 15.313 -2.055) 15.645 4.834 ( 2.461 15.313 -2.055) 15.645 6.823 ( -2.794 6.578 0.467) 7.162 6.823 ( 2.794 6.578 0.467) 7.162 9.436 ( -6.054 -11.388 3.307) 13.314 9.436 ( 6.054 -11.388 3.307) 13.314 10.761 ( -9.852 -14.459 6.502) 18.665 10.761 ( 9.852 -14.459 6.502) 18.665 11.333 ( -4.877 6.527 3.417) 8.835 11.333 ( 4.877 6.527 3.417) 8.835 11.619 ( -0.171 3.334 -5.612) 6.530 11.619 ( 0.171 3.334 -5.612) 6.530 12.675 ( -6.860 -2.794 -1.968) 7.664 12.675 ( 6.860 -2.794 -1.968) 7.664 13.012 ( -2.021 5.975 1.427) 6.467 13.012 ( 2.021 5.975 1.427) 6.467 13.518 ( -2.790 2.879 -1.734) 4.369 13.518 ( 2.790 2.879 -1.734) 4.369 ======================= Grid point 913 (283/300) ======================= q-point: ( 0.00 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.175 ( 0.000 25.659 12.157) 28.393 6.383 ( 0.000 23.337 -8.708) 24.909 8.677 ( 0.000 -2.357 2.426) 3.383 8.706 ( 0.000 -5.490 -0.403) 5.505 8.953 ( 0.000 -12.759 10.214) 16.344 9.120 ( 0.000 -10.841 -6.544) 12.663 10.290 ( 0.000 7.545 23.162) 24.360 10.656 ( 0.000 2.717 -10.356) 10.706 10.884 ( 0.000 -0.018 3.423) 3.423 10.895 ( 0.000 -2.620 3.753) 4.577 11.283 ( 0.000 7.602 3.002) 8.173 11.451 ( 0.000 5.339 -12.323) 13.429 12.077 ( 0.000 -0.446 0.188) 0.484 12.107 ( 0.000 -0.687 -2.744) 2.829 12.785 ( 0.000 -3.911 0.223) 3.918 12.817 ( 0.000 -6.308 -3.066) 7.014 14.025 ( 0.000 0.932 0.055) 0.934 14.028 ( 0.000 0.712 -0.241) 0.752 ======================= Grid point 914 (284/300) ======================= q-point: ( 0.10 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.095 ( -7.558 23.674 7.366) 25.920 6.348 ( -3.896 26.279 -3.620) 26.811 8.274 ( -29.549 -1.480 1.492) 29.623 8.606 ( -19.242 2.441 2.161) 19.517 8.832 ( -7.506 -15.489 1.134) 17.249 9.145 ( 6.765 -15.239 -0.127) 16.674 10.436 ( 3.172 4.902 16.423) 17.430 10.689 ( -0.250 -2.549 5.225) 5.819 10.855 ( 15.117 -0.470 -2.105) 15.270 11.094 ( 7.675 -0.602 1.865) 7.921 11.325 ( 4.218 7.373 0.967) 8.549 11.481 ( 2.614 6.295 -11.453) 13.328 12.110 ( 3.130 0.112 0.007) 3.132 12.139 ( 3.778 -0.199 -2.513) 4.542 12.804 ( 1.834 -2.528 -0.201) 3.130 12.832 ( 1.345 -5.925 -2.690) 6.644 13.964 ( -3.995 1.158 -0.209) 4.165 14.041 ( -0.630 0.944 0.002) 1.135 ======================= Grid point 915 (285/300) ======================= q-point: ( 0.20 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.882 ( -13.121 21.680 1.946) 25.416 6.195 ( -11.894 30.285 2.021) 32.600 7.635 ( -29.513 -0.449 -0.028) 29.517 8.077 ( -28.815 6.358 -0.820) 29.520 8.748 ( -0.488 -19.547 1.684) 19.626 9.334 ( 9.511 -13.857 1.704) 16.893 10.272 ( -11.111 -5.204 6.142) 13.721 10.841 ( 5.643 -4.796 10.679) 12.995 11.161 ( 11.803 0.289 7.085) 13.769 11.214 ( 5.516 0.094 1.662) 5.762 11.456 ( 8.648 6.297 -4.051) 11.439 11.545 ( 3.797 6.748 -10.335) 12.914 12.162 ( 2.470 -1.306 -1.136) 3.016 12.319 ( 13.215 3.534 -0.972) 13.713 12.853 ( 1.678 -3.433 -1.253) 4.021 12.869 ( 3.290 -0.524 -1.635) 3.711 13.868 ( -5.340 2.042 -0.373) 5.730 13.998 ( -3.685 1.487 0.038) 3.974 ======================= Grid point 916 (286/300) ======================= q-point: ( 0.30 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.583 ( -15.353 21.879 0.561) 26.734 5.857 ( -20.270 29.409 0.976) 35.732 7.172 ( -15.300 3.177 -0.452) 15.633 7.538 ( -22.863 8.357 -1.071) 24.366 8.799 ( 5.212 -20.451 2.315) 21.231 9.458 ( 0.935 -11.195 2.113) 11.431 10.119 ( -1.904 -13.359 5.608) 14.613 10.836 ( -5.356 -11.202 6.848) 14.179 11.276 ( 3.522 2.650 3.774) 5.803 11.352 ( 4.918 -1.555 6.671) 8.432 11.603 ( 4.687 6.016 -4.771) 8.995 11.679 ( 8.211 9.551 -7.574) 14.697 12.236 ( 5.568 -3.939 -1.443) 6.972 12.626 ( 15.536 4.858 0.421) 16.284 12.855 ( -1.006 -3.323 -2.114) 4.065 12.970 ( 5.991 4.668 -0.654) 7.623 13.752 ( -5.984 3.523 -0.650) 6.975 13.892 ( -6.699 2.449 -0.099) 7.133 ======================= Grid point 917 (287/300) ======================= q-point: ( 0.40 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.312 ( -9.693 23.222 0.345) 25.167 5.459 ( -16.692 26.034 -2.496) 31.026 6.988 ( -3.761 8.058 0.442) 8.904 7.172 ( -13.099 9.742 -0.656) 16.337 8.947 ( 8.986 -19.110 2.829) 21.306 9.360 ( -9.036 -11.873 2.890) 15.198 10.209 ( 9.149 -18.078 4.960) 20.860 10.665 ( -10.593 -15.708 5.210) 19.650 11.343 ( 3.028 2.157 3.688) 5.237 11.407 ( 0.814 -1.601 5.125) 5.431 11.688 ( 3.810 7.381 -4.894) 9.641 11.775 ( 1.146 10.960 -4.934) 12.073 12.399 ( 9.850 -5.275 -1.689) 11.300 12.753 ( -4.854 -3.665 -0.925) 6.152 12.965 ( 12.566 5.650 0.309) 13.782 13.095 ( 5.581 6.596 0.198) 8.642 13.636 ( -4.801 5.237 -1.157) 7.198 13.734 ( -8.261 3.839 -0.600) 9.129 ======================= Grid point 918 (288/300) ======================= q-point: (-0.50 0.22 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.243 ( -3.657 24.381 -1.792) 24.719 5.243 ( 3.657 24.381 -1.792) 24.719 6.996 ( -4.403 10.037 0.127) 10.961 6.996 ( 4.403 10.037 0.127) 10.961 9.151 ( -10.676 -15.831 3.119) 19.347 9.151 ( 10.676 -15.831 3.119) 19.347 10.431 ( -11.821 -18.076 4.750) 22.114 10.431 ( 11.821 -18.076 4.750) 22.114 11.394 ( -1.841 0.087 4.139) 4.531 11.394 ( 1.841 0.087 4.139) 4.531 11.754 ( -2.519 9.461 -4.621) 10.826 11.754 ( 2.519 9.461 -4.621) 10.826 12.601 ( -9.312 -4.462 -1.581) 10.446 12.601 ( 9.312 -4.462 -1.581) 10.446 13.142 ( -2.844 6.162 1.259) 6.903 13.142 ( 2.844 6.162 1.259) 6.903 13.603 ( -2.870 5.500 -1.472) 6.376 13.603 ( 2.870 5.500 -1.472) 6.376 ======================= Grid point 924 (289/300) ======================= q-point: ( 0.00 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.709 ( 0.000 26.569 9.603) 28.251 6.867 ( 0.000 23.887 -6.217) 24.683 8.438 ( 0.000 -18.094 4.337) 18.607 8.484 ( 0.000 -15.807 -0.355) 15.811 8.877 ( 0.000 2.237 6.626) 6.993 8.994 ( 0.000 -2.292 -5.005) 5.504 10.434 ( 0.000 6.240 19.555) 20.526 10.658 ( 0.000 -2.206 0.580) 2.281 10.872 ( 0.000 0.589 3.663) 3.710 10.914 ( 0.000 2.348 -2.689) 3.570 11.450 ( 0.000 8.961 -0.797) 8.996 11.551 ( 0.000 4.664 -9.466) 10.553 12.087 ( 0.000 1.940 -0.315) 1.966 12.113 ( 0.000 1.636 -2.803) 3.246 12.635 ( 0.000 -11.506 -1.052) 11.554 12.645 ( 0.000 -10.030 -2.024) 10.233 14.057 ( 0.000 2.009 0.161) 2.016 14.059 ( 0.000 2.134 0.014) 2.134 ======================= Grid point 925 (290/300) ======================= q-point: ( 0.10 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.588 ( -9.708 24.853 4.020) 26.982 6.902 ( 1.047 27.275 -0.373) 27.298 8.157 ( -21.401 -11.472 0.848) 24.296 8.576 ( -18.416 -1.608 5.625) 19.323 8.622 ( -4.620 -10.709 0.747) 11.687 8.845 ( -5.346 -11.015 -2.414) 12.480 10.549 ( -5.423 5.030 12.239) 14.301 10.640 ( 1.553 -2.030 8.519) 8.894 10.862 ( 13.829 1.755 -0.984) 13.975 11.075 ( 7.053 -1.595 1.829) 7.459 11.462 ( 2.651 6.768 -3.487) 8.062 11.606 ( 3.465 5.442 -7.444) 9.851 12.124 ( 1.925 1.510 -1.404) 2.821 12.174 ( 7.957 4.317 -1.437) 9.166 12.642 ( 1.519 -12.106 -1.709) 12.321 12.712 ( 5.330 -7.337 -1.340) 9.167 14.011 ( -3.054 3.103 -0.002) 4.354 14.066 ( -0.714 1.396 0.115) 1.573 ======================= Grid point 926 (291/300) ======================= q-point: ( 0.20 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.351 ( -13.280 24.651 1.273) 28.030 6.844 ( -8.806 33.109 2.729) 34.368 7.591 ( -28.146 -5.653 -0.784) 28.719 8.143 ( -26.862 -0.509 0.178) 26.868 8.414 ( -3.080 -11.895 1.453) 12.373 8.979 ( 9.787 -20.521 1.679) 22.798 10.251 ( -16.129 2.824 5.087) 17.146 10.715 ( -1.583 -7.645 7.617) 10.907 11.153 ( 11.424 -0.714 6.301) 13.066 11.201 ( 5.564 -1.352 2.284) 6.164 11.590 ( 9.647 7.297 -3.242) 12.523 11.681 ( 5.048 5.957 -7.630) 10.917 12.154 ( 1.088 0.962 -1.435) 2.042 12.424 ( 15.226 6.935 -0.483) 16.738 12.685 ( 2.290 -11.500 -1.967) 11.890 12.851 ( 8.087 -2.999 -0.874) 8.670 13.938 ( -4.098 4.256 -0.175) 5.911 14.027 ( -3.174 1.330 0.066) 3.442 ======================= Grid point 927 (292/300) ======================= q-point: ( 0.30 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.062 ( -14.544 25.204 0.761) 29.110 6.469 ( -25.562 29.848 -0.003) 39.297 7.225 ( -8.137 0.803 0.548) 8.195 7.641 ( -20.792 0.854 -1.659) 20.875 8.447 ( 5.457 -12.586 2.429) 13.931 9.141 ( 4.584 -20.041 1.940) 20.650 9.962 ( -10.672 -1.630 5.077) 11.930 10.580 ( -10.480 -14.020 5.286) 18.285 11.290 ( 3.813 -0.578 3.286) 5.066 11.310 ( 4.347 -2.166 3.974) 6.276 11.747 ( 5.766 7.664 -2.059) 9.809 11.877 ( 11.594 9.330 -5.734) 15.948 12.178 ( 1.968 -1.382 -1.293) 2.730 12.684 ( 2.452 -5.393 -0.219) 5.928 12.776 ( 13.251 2.147 -1.221) 13.479 13.027 ( 8.898 0.660 -0.148) 8.924 13.848 ( -4.604 5.332 -0.465) 7.060 13.938 ( -5.505 2.080 -0.134) 5.887 ======================= Grid point 928 (293/300) ======================= q-point: ( 0.40 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.806 ( -9.116 25.037 0.331) 26.647 5.987 ( -19.058 25.054 -2.548) 31.581 7.148 ( -0.903 6.481 1.166) 6.647 7.320 ( -10.930 3.923 -1.653) 11.730 8.616 ( 10.822 -11.861 2.750) 16.290 9.103 ( -8.420 -13.746 2.309) 16.285 9.890 ( 4.004 -12.096 4.897) 13.650 10.330 ( -13.329 -17.374 4.493) 22.354 11.349 ( 2.022 -0.782 2.782) 3.527 11.366 ( 1.403 -2.112 3.097) 4.003 11.859 ( 5.314 9.049 -2.539) 10.797 12.005 ( 0.415 11.901 -3.307) 12.359 12.295 ( 9.675 -5.298 -1.689) 11.159 12.643 ( -4.871 -7.403 -1.404) 8.972 13.065 ( 12.587 4.550 0.932) 13.416 13.190 ( 6.338 2.645 0.784) 6.912 13.758 ( -3.896 6.104 -0.931) 7.301 13.812 ( -6.318 3.744 -0.643) 7.372 ======================= Grid point 929 (294/300) ======================= q-point: (-0.50 0.33 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.746 ( -4.194 24.505 -1.555) 24.910 5.746 ( 4.194 24.505 -1.555) 24.910 7.176 ( -3.849 6.535 -0.245) 7.588 7.176 ( 3.849 6.535 -0.245) 7.588 8.866 ( -13.075 -11.178 2.779) 17.425 8.866 ( 13.075 -11.178 2.779) 17.425 10.067 ( -11.837 -17.579 4.443) 21.654 10.067 ( 11.837 -17.579 4.443) 21.654 11.374 ( -0.466 -1.488 2.749) 3.161 11.374 ( 0.466 -1.488 2.749) 3.161 11.957 ( -4.076 10.342 -2.702) 11.440 11.957 ( 4.076 10.342 -2.702) 11.440 12.498 ( -9.085 -5.926 -1.658) 10.973 12.498 ( 9.085 -5.926 -1.658) 10.973 13.237 ( -3.101 3.272 1.567) 4.772 13.237 ( 3.101 3.272 1.567) 4.773 13.722 ( -1.372 5.803 -1.283) 6.100 13.722 ( 1.372 5.803 -1.283) 6.100 ======================= Grid point 935 (295/300) ======================= q-point: ( 0.00 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 516 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.175 ( 0.000 17.879 6.148) 18.907 7.257 ( 0.000 11.601 -1.917) 11.759 8.113 ( 0.000 -10.718 4.179) 11.504 8.163 ( 0.000 -13.676 -0.716) 13.695 8.934 ( 0.000 2.682 2.405) 3.603 8.971 ( 0.000 -1.058 -1.289) 1.668 10.529 ( 0.000 3.643 12.951) 13.454 10.597 ( 0.000 -3.423 6.703) 7.527 10.910 ( 0.000 2.434 3.168) 3.995 10.940 ( 0.000 -0.175 0.087) 0.195 11.605 ( 0.000 5.163 -4.819) 7.063 11.628 ( 0.000 2.346 -6.569) 6.976 12.176 ( 0.000 7.254 -1.799) 7.474 12.187 ( 0.000 5.910 -2.738) 6.513 12.395 ( 0.000 -11.188 -0.414) 11.196 12.412 ( 0.000 -12.037 -2.225) 12.241 14.092 ( 0.000 1.146 0.281) 1.180 14.094 ( 0.000 1.030 0.138) 1.039 ======================= Grid point 936 (296/300) ======================= q-point: ( 0.10 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.053 ( -9.001 20.732 2.560) 22.747 7.284 ( 0.023 4.205 1.316) 4.406 7.983 ( -9.784 2.116 1.825) 10.175 8.274 ( 3.558 -20.328 1.984) 20.732 8.623 ( -22.588 4.696 1.691) 23.133 8.721 ( -20.119 -4.704 -0.910) 20.682 10.602 ( -5.345 0.828 7.469) 9.222 10.614 ( 2.519 -0.686 8.983) 9.355 10.935 ( 8.641 4.895 2.623) 10.272 11.024 ( 6.178 -3.605 2.693) 7.643 11.597 ( 2.169 6.087 -5.133) 8.252 11.665 ( 2.508 -0.136 -5.556) 6.097 12.192 ( 1.634 6.001 -2.208) 6.599 12.309 ( 10.537 7.371 -2.128) 13.034 12.391 ( 1.542 -10.268 -1.086) 10.440 12.527 ( 8.929 -10.554 -1.315) 13.887 14.067 ( -2.035 2.070 0.146) 2.906 14.085 ( -1.269 0.221 0.169) 1.299 ======================= Grid point 937 (297/300) ======================= q-point: ( 0.20 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.839 ( -12.168 23.673 1.207) 26.644 7.239 ( -5.172 -10.935 1.513) 12.190 7.584 ( -28.031 21.647 1.035) 35.432 8.008 ( -25.979 -14.742 -0.114) 29.871 8.344 ( -2.851 5.027 1.876) 6.076 8.577 ( 5.324 -17.698 1.141) 18.517 10.366 ( -14.999 8.080 4.943) 17.740 10.544 ( -9.164 -9.192 5.743) 14.194 11.147 ( 8.903 0.377 4.493) 9.979 11.169 ( 6.808 -1.601 3.124) 7.660 11.721 ( 9.023 4.882 -2.602) 10.583 11.758 ( 7.313 1.312 -5.178) 9.056 12.227 ( 1.572 7.068 -1.979) 7.506 12.433 ( 2.843 -12.641 -2.000) 13.110 12.584 ( 14.831 8.575 -0.610) 17.142 12.747 ( 12.003 -7.149 -0.692) 13.988 14.012 ( -3.278 2.802 -0.034) 4.313 14.041 ( -3.028 -0.152 0.032) 3.032 ======================= Grid point 938 (298/300) ======================= q-point: ( 0.30 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 855 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.550 ( -15.961 22.658 0.605) 27.722 6.855 ( -28.885 -0.682 -1.314) 28.923 7.259 ( -3.935 10.418 2.067) 11.327 7.539 ( -17.551 -11.293 -1.475) 20.922 8.395 ( 6.107 8.293 2.295) 10.552 8.713 ( 6.586 -20.994 1.903) 22.085 10.048 ( -15.192 9.429 4.611) 18.465 10.294 ( -14.338 -14.165 4.607) 20.674 11.274 ( 4.093 -0.538 3.167) 5.203 11.278 ( 4.011 -0.927 2.556) 4.846 11.887 ( 7.555 6.062 -1.810) 9.854 11.970 ( 11.545 -1.195 -3.034) 11.997 12.249 ( 0.396 9.400 -1.985) 9.615 12.478 ( 1.135 -12.120 -1.861) 12.314 12.888 ( 14.421 6.204 0.303) 15.702 12.993 ( 11.731 -3.881 0.242) 12.358 13.936 ( -4.122 3.075 -0.332) 5.153 13.964 ( -4.502 0.218 -0.240) 4.514 ======================= Grid point 939 (299/300) ======================= q-point: ( 0.40 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 856 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.246 ( -11.844 16.859 -0.268) 20.605 6.353 ( -18.550 8.251 -2.132) 20.414 7.219 ( -0.716 2.242 1.345) 2.711 7.304 ( -6.573 -4.803 -1.519) 8.281 8.558 ( 9.284 6.519 2.369) 11.589 8.806 ( 1.373 -15.595 1.870) 15.766 9.801 ( -7.567 3.765 4.867) 9.753 10.001 ( -13.550 -14.667 4.469) 20.463 11.332 ( 1.750 -0.564 2.387) 3.013 11.335 ( 1.641 -0.884 2.195) 2.880 12.032 ( 6.615 8.102 -1.750) 10.605 12.177 ( 6.711 -6.159 -1.435) 9.221 12.244 ( 0.834 11.335 -2.568) 11.652 12.464 ( -2.710 -10.264 -1.852) 10.776 13.148 ( 10.461 3.638 1.266) 11.148 13.201 ( 7.955 -1.374 1.206) 8.163 13.852 ( -3.814 2.906 -0.797) 4.861 13.867 ( -4.591 1.300 -0.730) 4.827 ======================= Grid point 940 (300/300) ======================= q-point: (-0.50 0.44 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.24e-05 8.24e-05 Number of triplets: 513 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.138 ( -2.293 12.157 -1.539) 12.467 6.138 ( 2.293 12.157 -1.538) 12.467 7.227 ( -1.696 -0.431 -0.185) 1.759 7.227 ( 1.696 -0.431 -0.185) 1.759 8.740 ( -7.381 -2.032 2.051) 7.925 8.740 ( 7.381 -2.032 2.051) 7.925 9.787 ( -6.096 -8.560 4.782) 11.546 9.787 ( 6.096 -8.560 4.782) 11.546 11.350 ( -0.077 -0.723 2.132) 2.252 11.350 ( 0.077 -0.723 2.132) 2.252 12.149 ( -4.673 8.154 -1.644) 9.541 12.149 ( 4.673 8.154 -1.644) 9.541 12.368 ( -6.537 -6.494 -2.045) 9.439 12.368 ( 6.537 -6.494 -2.045) 9.439 13.277 ( -1.344 0.946 1.813) 2.446 13.277 ( 1.344 0.946 1.813) 2.446 13.808 ( -0.341 2.426 -1.178) 2.719 13.808 ( 0.341 2.426 -1.178) 2.719 =================== 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 3/30780 10.0 3208.899 16983.372 22142.096 0.000 0.000 -0.000 3/30780 20.0 12463.857 15539.757 17966.986 0.000 0.000 -0.000 3/30780 30.0 8072.097 8162.245 8333.765 0.000 0.000 -0.000 3/30780 40.0 4204.959 4445.543 4045.246 0.000 0.000 0.000 3/30780 50.0 2244.653 2453.156 2049.742 0.000 0.000 0.000 3/30780 60.0 1318.712 1464.764 1158.382 0.000 0.000 0.000 3/30780 70.0 854.390 955.044 735.927 0.000 0.000 0.000 3/30780 80.0 601.180 672.377 516.502 0.000 0.000 0.000 3/30780 90.0 451.643 503.968 392.040 0.000 0.000 0.000 3/30780 100.0 356.987 396.975 315.805 0.000 0.000 0.000 3/30780 110.0 293.449 325.106 265.919 0.000 0.000 0.000 3/30780 120.0 248.644 274.476 231.362 0.000 0.000 0.000 3/30780 130.0 215.719 237.341 206.213 0.000 0.000 0.000 3/30780 140.0 190.669 209.155 187.119 0.000 0.000 0.000 3/30780 150.0 171.046 187.133 172.086 0.000 0.000 0.000 3/30780 160.0 155.288 169.496 159.883 0.000 0.000 0.000 3/30780 170.0 142.366 155.072 149.719 0.000 0.000 0.000 3/30780 180.0 131.576 143.059 141.072 0.000 0.000 0.000 3/30780 190.0 122.427 132.897 133.584 0.000 0.000 0.000 3/30780 200.0 114.565 124.186 127.005 0.000 0.000 0.000 3/30780 210.0 107.730 116.630 121.154 0.000 0.000 0.000 3/30780 220.0 101.728 110.009 115.899 0.000 0.000 0.000 3/30780 230.0 96.411 104.155 111.139 0.000 0.000 0.000 3/30780 240.0 91.664 98.937 106.798 0.000 0.000 0.000 3/30780 250.0 87.397 94.255 102.814 0.000 0.000 0.000 3/30780 260.0 83.537 90.027 99.140 0.000 0.000 0.000 3/30780 270.0 80.027 86.187 95.737 0.000 0.000 0.000 3/30780 280.0 76.819 82.682 92.572 0.000 0.000 0.000 3/30780 290.0 73.874 79.469 89.620 0.000 0.000 0.000 3/30780 300.0 71.160 76.511 86.857 0.000 0.000 0.000 3/30780 310.0 68.649 73.778 84.265 0.000 0.000 0.000 3/30780 320.0 66.319 71.244 81.826 0.000 0.000 0.000 3/30780 330.0 64.150 68.887 79.528 0.000 0.000 0.000 3/30780 340.0 62.126 66.689 77.358 0.000 0.000 0.000 3/30780 350.0 60.231 64.634 75.304 0.000 0.000 0.000 3/30780 360.0 58.453 62.707 73.358 0.000 0.000 0.000 3/30780 370.0 56.782 60.897 71.510 0.000 0.000 0.000 3/30780 380.0 55.207 59.192 69.754 0.000 0.000 0.000 3/30780 390.0 53.721 57.585 68.083 0.000 0.000 0.000 3/30780 400.0 52.315 56.065 66.489 0.000 0.000 0.000 3/30780 410.0 50.984 54.627 64.969 0.000 0.000 0.000 3/30780 420.0 49.721 53.263 63.517 0.000 0.000 0.000 3/30780 430.0 48.521 51.967 62.128 0.000 0.000 0.000 3/30780 440.0 47.379 50.735 60.798 0.000 0.000 0.000 3/30780 450.0 46.292 49.562 59.524 0.000 0.000 0.000 3/30780 460.0 45.254 48.444 58.302 0.000 0.000 0.000 3/30780 470.0 44.263 47.376 57.129 0.000 0.000 0.000 3/30780 480.0 43.316 46.356 56.002 0.000 0.000 0.000 3/30780 490.0 42.410 45.380 54.919 0.000 0.000 0.000 3/30780 500.0 41.541 44.445 53.876 0.000 0.000 0.000 3/30780 510.0 40.708 43.549 52.873 0.000 0.000 0.000 3/30780 520.0 39.909 42.689 51.905 0.000 0.000 0.000 3/30780 530.0 39.141 41.863 50.973 0.000 0.000 0.000 3/30780 540.0 38.403 41.069 50.073 0.000 0.000 0.000 3/30780 550.0 37.692 40.305 49.204 0.000 0.000 0.000 3/30780 560.0 37.008 39.570 48.364 0.000 0.000 0.000 3/30780 570.0 36.348 38.861 47.553 0.000 0.000 0.000 3/30780 580.0 35.713 38.178 46.768 0.000 0.000 0.000 3/30780 590.0 35.099 37.519 46.009 0.000 0.000 0.000 3/30780 600.0 34.506 36.883 45.273 0.000 0.000 0.000 3/30780 610.0 33.934 36.268 44.561 0.000 0.000 0.000 3/30780 620.0 33.380 35.674 43.871 0.000 0.000 0.000 3/30780 630.0 32.844 35.099 43.201 0.000 0.000 0.000 3/30780 640.0 32.326 34.543 42.552 0.000 0.000 0.000 3/30780 650.0 31.824 34.004 41.921 0.000 0.000 0.000 3/30780 660.0 31.337 33.482 41.309 0.000 0.000 0.000 3/30780 670.0 30.866 32.976 40.715 0.000 0.000 0.000 3/30780 680.0 30.408 32.486 40.137 0.000 0.000 0.000 3/30780 690.0 29.964 32.009 39.576 0.000 0.000 0.000 3/30780 700.0 29.533 31.547 39.030 0.000 0.000 0.000 3/30780 710.0 29.114 31.098 38.498 0.000 0.000 0.000 3/30780 720.0 28.707 30.662 37.981 0.000 0.000 0.000 3/30780 730.0 28.312 30.239 37.478 0.000 0.000 0.000 3/30780 740.0 27.927 29.826 36.987 0.000 0.000 0.000 3/30780 750.0 27.553 29.425 36.509 0.000 0.000 0.000 3/30780 760.0 27.189 29.035 36.044 0.000 0.000 0.000 3/30780 770.0 26.834 28.655 35.590 0.000 0.000 0.000 3/30780 780.0 26.489 28.285 35.147 0.000 0.000 0.000 3/30780 790.0 26.152 27.925 34.715 0.000 0.000 0.000 3/30780 800.0 25.824 27.573 34.294 0.000 0.000 0.000 3/30780 810.0 25.504 27.231 33.882 0.000 0.000 0.000 3/30780 820.0 25.192 26.897 33.481 0.000 0.000 0.000 3/30780 830.0 24.888 26.571 33.088 0.000 0.000 0.000 3/30780 840.0 24.591 26.253 32.705 0.000 0.000 0.000 3/30780 850.0 24.301 25.943 32.330 0.000 0.000 0.000 3/30780 860.0 24.018 25.640 31.964 0.000 0.000 0.000 3/30780 870.0 23.741 25.344 31.606 0.000 0.000 0.000 3/30780 880.0 23.471 25.054 31.256 0.000 0.000 0.000 3/30780 890.0 23.207 24.772 30.914 0.000 0.000 0.000 3/30780 900.0 22.948 24.495 30.579 0.000 0.000 0.000 3/30780 910.0 22.696 24.225 30.251 0.000 0.000 0.000 3/30780 920.0 22.449 23.961 29.930 0.000 0.000 0.000 3/30780 930.0 22.207 23.703 29.616 0.000 0.000 0.000 3/30780 940.0 21.971 23.450 29.309 0.000 0.000 0.000 3/30780 950.0 21.739 23.202 29.007 0.000 0.000 0.000 3/30780 960.0 21.513 22.960 28.712 0.000 0.000 0.000 3/30780 970.0 21.291 22.722 28.423 0.000 0.000 0.000 3/30780 980.0 21.074 22.490 28.139 0.000 0.000 0.000 3/30780 990.0 20.861 22.262 27.861 0.000 0.000 0.000 3/30780 1000.0 20.652 22.039 27.588 0.000 0.000 0.000 3/30780 Thermal conductivity related properties were written into "kappa-m10919.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:51:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|