----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:07:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 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 5.093077559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889904220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.911493440000000 Atomic positions (fractional): *1 P 0.33767266235554 0.87154109586341 0.50000000000000 30.974 2 P 0.66232733764446 0.12845890413659 0.50000000000000 30.974 3 P 0.16232733764446 0.37154109586341 0.00000000000000 30.974 4 P 0.83767266235554 0.62845890413659 0.00000000000000 30.974 *5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.093077559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889904220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.911493440000000 Atomic positions (fractional): *1 P 0.33767266235554 0.87154109586341 0.50000000000000 30.974 > 1 2 P 0.66232733764446 0.12845890413659 0.50000000000000 30.974 > 2 3 P 0.16232733764446 0.37154109586341 0.00000000000000 30.974 > 3 4 P 0.83767266235554 0.62845890413659 0.00000000000000 30.974 > 4 *5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 > 5 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.279232679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.779808440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.645973760000000 Atomic positions (fractional): *1 P 0.11255755411851 0.43577054793171 0.12500000000000 30.974 > 1 2 P 0.44589088745185 0.43577054793171 0.12500000000000 30.974 > 1 3 P 0.77922422078518 0.43577054793171 0.12500000000000 30.974 > 1 4 P 0.11255755411851 0.93577054793171 0.12500000000000 30.974 > 1 5 P 0.44589088745185 0.93577054793171 0.12500000000000 30.974 > 1 6 P 0.77922422078518 0.93577054793171 0.12500000000000 30.974 > 1 7 P 0.11255755411851 0.43577054793171 0.37500000000000 30.974 > 1 8 P 0.44589088745185 0.43577054793171 0.37500000000000 30.974 > 1 9 P 0.77922422078518 0.43577054793171 0.37500000000000 30.974 > 1 10 P 0.11255755411851 0.93577054793171 0.37500000000000 30.974 > 1 11 P 0.44589088745185 0.93577054793171 0.37500000000000 30.974 > 1 12 P 0.77922422078518 0.93577054793171 0.37500000000000 30.974 > 1 13 P 0.11255755411851 0.43577054793171 0.62500000000000 30.974 > 1 14 P 0.44589088745185 0.43577054793171 0.62500000000000 30.974 > 1 15 P 0.77922422078518 0.43577054793171 0.62500000000000 30.974 > 1 16 P 0.11255755411851 0.93577054793171 0.62500000000000 30.974 > 1 17 P 0.44589088745185 0.93577054793171 0.62500000000000 30.974 > 1 18 P 0.77922422078518 0.93577054793171 0.62500000000000 30.974 > 1 19 P 0.11255755411851 0.43577054793171 0.87500000000000 30.974 > 1 20 P 0.44589088745185 0.43577054793171 0.87500000000000 30.974 > 1 21 P 0.77922422078518 0.43577054793171 0.87500000000000 30.974 > 1 22 P 0.11255755411851 0.93577054793171 0.87500000000000 30.974 > 1 23 P 0.44589088745185 0.93577054793171 0.87500000000000 30.974 > 1 24 P 0.77922422078518 0.93577054793171 0.87500000000000 30.974 > 1 25 P 0.22077577921482 0.06422945206829 0.12500000000000 30.974 > 2 26 P 0.55410911254815 0.06422945206829 0.12500000000000 30.974 > 2 27 P 0.88744244588149 0.06422945206829 0.12500000000000 30.974 > 2 28 P 0.22077577921482 0.56422945206829 0.12500000000000 30.974 > 2 29 P 0.55410911254815 0.56422945206829 0.12500000000000 30.974 > 2 30 P 0.88744244588149 0.56422945206829 0.12500000000000 30.974 > 2 31 P 0.22077577921482 0.06422945206829 0.37500000000000 30.974 > 2 32 P 0.55410911254815 0.06422945206829 0.37500000000000 30.974 > 2 33 P 0.88744244588149 0.06422945206829 0.37500000000000 30.974 > 2 34 P 0.22077577921482 0.56422945206829 0.37500000000000 30.974 > 2 35 P 0.55410911254815 0.56422945206829 0.37500000000000 30.974 > 2 36 P 0.88744244588149 0.56422945206829 0.37500000000000 30.974 > 2 37 P 0.22077577921482 0.06422945206829 0.62500000000000 30.974 > 2 38 P 0.55410911254815 0.06422945206829 0.62500000000000 30.974 > 2 39 P 0.88744244588149 0.06422945206829 0.62500000000000 30.974 > 2 40 P 0.22077577921482 0.56422945206829 0.62500000000000 30.974 > 2 41 P 0.55410911254815 0.56422945206829 0.62500000000000 30.974 > 2 42 P 0.88744244588149 0.56422945206829 0.62500000000000 30.974 > 2 43 P 0.22077577921482 0.06422945206829 0.87500000000000 30.974 > 2 44 P 0.55410911254815 0.06422945206829 0.87500000000000 30.974 > 2 45 P 0.88744244588149 0.06422945206829 0.87500000000000 30.974 > 2 46 P 0.22077577921482 0.56422945206829 0.87500000000000 30.974 > 2 47 P 0.55410911254815 0.56422945206829 0.87500000000000 30.974 > 2 48 P 0.88744244588149 0.56422945206829 0.87500000000000 30.974 > 2 49 P 0.05410911254815 0.18577054793171 0.00000000000000 30.974 > 3 50 P 0.38744244588149 0.18577054793171 0.00000000000000 30.974 > 3 51 P 0.72077577921482 0.18577054793171 0.00000000000000 30.974 > 3 52 P 0.05410911254815 0.68577054793171 0.00000000000000 30.974 > 3 53 P 0.38744244588149 0.68577054793171 0.00000000000000 30.974 > 3 54 P 0.72077577921482 0.68577054793171 0.00000000000000 30.974 > 3 55 P 0.05410911254815 0.18577054793171 0.25000000000000 30.974 > 3 56 P 0.38744244588149 0.18577054793171 0.25000000000000 30.974 > 3 57 P 0.72077577921482 0.18577054793171 0.25000000000000 30.974 > 3 58 P 0.05410911254815 0.68577054793171 0.25000000000000 30.974 > 3 59 P 0.38744244588149 0.68577054793171 0.25000000000000 30.974 > 3 60 P 0.72077577921482 0.68577054793171 0.25000000000000 30.974 > 3 61 P 0.05410911254815 0.18577054793171 0.50000000000000 30.974 > 3 62 P 0.38744244588149 0.18577054793171 0.50000000000000 30.974 > 3 63 P 0.72077577921482 0.18577054793171 0.50000000000000 30.974 > 3 64 P 0.05410911254815 0.68577054793171 0.50000000000000 30.974 > 3 65 P 0.38744244588149 0.68577054793171 0.50000000000000 30.974 > 3 66 P 0.72077577921482 0.68577054793171 0.50000000000000 30.974 > 3 67 P 0.05410911254815 0.18577054793171 0.75000000000000 30.974 > 3 68 P 0.38744244588149 0.18577054793171 0.75000000000000 30.974 > 3 69 P 0.72077577921482 0.18577054793171 0.75000000000000 30.974 > 3 70 P 0.05410911254815 0.68577054793171 0.75000000000000 30.974 > 3 71 P 0.38744244588149 0.68577054793171 0.75000000000000 30.974 > 3 72 P 0.72077577921482 0.68577054793171 0.75000000000000 30.974 > 3 73 P 0.27922422078518 0.31422945206829 0.00000000000000 30.974 > 4 74 P 0.61255755411851 0.31422945206829 0.00000000000000 30.974 > 4 75 P 0.94589088745185 0.31422945206829 0.00000000000000 30.974 > 4 76 P 0.27922422078518 0.81422945206829 0.00000000000000 30.974 > 4 77 P 0.61255755411851 0.81422945206829 0.00000000000000 30.974 > 4 78 P 0.94589088745185 0.81422945206829 0.00000000000000 30.974 > 4 79 P 0.27922422078518 0.31422945206829 0.25000000000000 30.974 > 4 80 P 0.61255755411851 0.31422945206829 0.25000000000000 30.974 > 4 81 P 0.94589088745185 0.31422945206829 0.25000000000000 30.974 > 4 82 P 0.27922422078518 0.81422945206829 0.25000000000000 30.974 > 4 83 P 0.61255755411851 0.81422945206829 0.25000000000000 30.974 > 4 84 P 0.94589088745185 0.81422945206829 0.25000000000000 30.974 > 4 85 P 0.27922422078518 0.31422945206829 0.50000000000000 30.974 > 4 86 P 0.61255755411851 0.31422945206829 0.50000000000000 30.974 > 4 87 P 0.94589088745185 0.31422945206829 0.50000000000000 30.974 > 4 88 P 0.27922422078518 0.81422945206829 0.50000000000000 30.974 > 4 89 P 0.61255755411851 0.81422945206829 0.50000000000000 30.974 > 4 90 P 0.94589088745185 0.81422945206829 0.50000000000000 30.974 > 4 91 P 0.27922422078518 0.31422945206829 0.75000000000000 30.974 > 4 92 P 0.61255755411851 0.31422945206829 0.75000000000000 30.974 > 4 93 P 0.94589088745185 0.31422945206829 0.75000000000000 30.974 > 4 94 P 0.27922422078518 0.81422945206829 0.75000000000000 30.974 > 4 95 P 0.61255755411851 0.81422945206829 0.75000000000000 30.974 > 4 96 P 0.94589088745185 0.81422945206829 0.75000000000000 30.974 > 4 *97 Os 0.16666666666667 0.25000000000000 0.12500000000000 190.230 > 5 98 Os 0.50000000000000 0.25000000000000 0.12500000000000 190.230 > 5 99 Os 0.83333333333333 0.25000000000000 0.12500000000000 190.230 > 5 100 Os 0.16666666666667 0.75000000000000 0.12500000000000 190.230 > 5 101 Os 0.50000000000000 0.75000000000000 0.12500000000000 190.230 > 5 102 Os 0.83333333333333 0.75000000000000 0.12500000000000 190.230 > 5 103 Os 0.16666666666667 0.25000000000000 0.37500000000000 190.230 > 5 104 Os 0.50000000000000 0.25000000000000 0.37500000000000 190.230 > 5 105 Os 0.83333333333333 0.25000000000000 0.37500000000000 190.230 > 5 106 Os 0.16666666666667 0.75000000000000 0.37500000000000 190.230 > 5 107 Os 0.50000000000000 0.75000000000000 0.37500000000000 190.230 > 5 108 Os 0.83333333333333 0.75000000000000 0.37500000000000 190.230 > 5 109 Os 0.16666666666667 0.25000000000000 0.62500000000000 190.230 > 5 110 Os 0.50000000000000 0.25000000000000 0.62500000000000 190.230 > 5 111 Os 0.83333333333333 0.25000000000000 0.62500000000000 190.230 > 5 112 Os 0.16666666666667 0.75000000000000 0.62500000000000 190.230 > 5 113 Os 0.50000000000000 0.75000000000000 0.62500000000000 190.230 > 5 114 Os 0.83333333333333 0.75000000000000 0.62500000000000 190.230 > 5 115 Os 0.16666666666667 0.25000000000000 0.87500000000000 190.230 > 5 116 Os 0.50000000000000 0.25000000000000 0.87500000000000 190.230 > 5 117 Os 0.83333333333333 0.25000000000000 0.87500000000000 190.230 > 5 118 Os 0.16666666666667 0.75000000000000 0.87500000000000 190.230 > 5 119 Os 0.50000000000000 0.75000000000000 0.87500000000000 190.230 > 5 120 Os 0.83333333333333 0.75000000000000 0.87500000000000 190.230 > 5 121 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 6 122 Os 0.33333333333333 0.00000000000000 0.00000000000000 190.230 > 6 123 Os 0.66666666666667 0.00000000000000 0.00000000000000 190.230 > 6 124 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 6 125 Os 0.33333333333333 0.50000000000000 0.00000000000000 190.230 > 6 126 Os 0.66666666666667 0.50000000000000 0.00000000000000 190.230 > 6 127 Os 0.00000000000000 0.00000000000000 0.25000000000000 190.230 > 6 128 Os 0.33333333333333 0.00000000000000 0.25000000000000 190.230 > 6 129 Os 0.66666666666667 0.00000000000000 0.25000000000000 190.230 > 6 130 Os 0.00000000000000 0.50000000000000 0.25000000000000 190.230 > 6 131 Os 0.33333333333333 0.50000000000000 0.25000000000000 190.230 > 6 132 Os 0.66666666666667 0.50000000000000 0.25000000000000 190.230 > 6 133 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 6 134 Os 0.33333333333333 0.00000000000000 0.50000000000000 190.230 > 6 135 Os 0.66666666666667 0.00000000000000 0.50000000000000 190.230 > 6 136 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 6 137 Os 0.33333333333333 0.50000000000000 0.50000000000000 190.230 > 6 138 Os 0.66666666666667 0.50000000000000 0.50000000000000 190.230 > 6 139 Os 0.00000000000000 0.00000000000000 0.75000000000000 190.230 > 6 140 Os 0.33333333333333 0.00000000000000 0.75000000000000 190.230 > 6 141 Os 0.66666666666667 0.00000000000000 0.75000000000000 190.230 > 6 142 Os 0.00000000000000 0.50000000000000 0.75000000000000 190.230 > 6 143 Os 0.33333333333333 0.50000000000000 0.75000000000000 190.230 > 6 144 Os 0.66666666666667 0.50000000000000 0.75000000000000 190.230 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.5196181 0.0000000 0.0000000 0.0000000 21.1388464 0.0000000 0.0000000 0.0000000 15.2696883 -------------------------- Born effective charges -------------------------- 1 P 3.3373146 -0.4681714 0.0000000 -0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 2 P 3.3373146 -0.4681714 0.0000000 -0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 3 P 3.3373146 0.4681714 0.0000000 0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 4 P 3.3373146 0.4681714 0.0000000 0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 5 Os -6.6746292 0.0309101 0.0000000 -1.3417272 -5.9195834 0.0000000 0.0000000 0.0000000 -6.8374489 6 Os -6.6746292 -0.0309101 0.0000000 1.3417272 -5.9195834 0.0000000 0.0000000 0.0000000 -6.8374489 ---------------------------------------------------------------------------- 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: 0.574 Solver_block: 160 / 160 - Time: 0.392 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.983 --------------------------------- 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:07:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:07:29]------------------------- 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 5.093077559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889904220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.911493440000000 Atomic positions (fractional): 1 P 0.33767266235554 0.87154109586341 0.50000000000000 30.974 2 P 0.66232733764446 0.12845890413659 0.50000000000000 30.974 3 P 0.16232733764446 0.37154109586341 0.00000000000000 30.974 4 P 0.83767266235554 0.62845890413659 0.00000000000000 30.974 5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.279232679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.779808440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.645973760000000 Atomic positions (fractional): 1 P 0.11255755411851 0.43577054793171 0.12500000000000 30.974 > 1 2 P 0.44589088745185 0.43577054793171 0.12500000000000 30.974 > 1 3 P 0.77922422078518 0.43577054793171 0.12500000000000 30.974 > 1 4 P 0.11255755411851 0.93577054793171 0.12500000000000 30.974 > 1 5 P 0.44589088745185 0.93577054793171 0.12500000000000 30.974 > 1 6 P 0.77922422078518 0.93577054793171 0.12500000000000 30.974 > 1 7 P 0.11255755411851 0.43577054793171 0.37500000000000 30.974 > 1 8 P 0.44589088745185 0.43577054793171 0.37500000000000 30.974 > 1 9 P 0.77922422078518 0.43577054793171 0.37500000000000 30.974 > 1 10 P 0.11255755411851 0.93577054793171 0.37500000000000 30.974 > 1 11 P 0.44589088745185 0.93577054793171 0.37500000000000 30.974 > 1 12 P 0.77922422078518 0.93577054793171 0.37500000000000 30.974 > 1 13 P 0.11255755411851 0.43577054793171 0.62500000000000 30.974 > 1 14 P 0.44589088745185 0.43577054793171 0.62500000000000 30.974 > 1 15 P 0.77922422078518 0.43577054793171 0.62500000000000 30.974 > 1 16 P 0.11255755411851 0.93577054793171 0.62500000000000 30.974 > 1 17 P 0.44589088745185 0.93577054793171 0.62500000000000 30.974 > 1 18 P 0.77922422078518 0.93577054793171 0.62500000000000 30.974 > 1 19 P 0.11255755411851 0.43577054793171 0.87500000000000 30.974 > 1 20 P 0.44589088745185 0.43577054793171 0.87500000000000 30.974 > 1 21 P 0.77922422078518 0.43577054793171 0.87500000000000 30.974 > 1 22 P 0.11255755411851 0.93577054793171 0.87500000000000 30.974 > 1 23 P 0.44589088745185 0.93577054793171 0.87500000000000 30.974 > 1 24 P 0.77922422078518 0.93577054793171 0.87500000000000 30.974 > 1 25 P 0.22077577921482 0.06422945206829 0.12500000000000 30.974 > 25 26 P 0.55410911254815 0.06422945206829 0.12500000000000 30.974 > 25 27 P 0.88744244588149 0.06422945206829 0.12500000000000 30.974 > 25 28 P 0.22077577921482 0.56422945206829 0.12500000000000 30.974 > 25 29 P 0.55410911254815 0.56422945206829 0.12500000000000 30.974 > 25 30 P 0.88744244588149 0.56422945206829 0.12500000000000 30.974 > 25 31 P 0.22077577921482 0.06422945206829 0.37500000000000 30.974 > 25 32 P 0.55410911254815 0.06422945206829 0.37500000000000 30.974 > 25 33 P 0.88744244588149 0.06422945206829 0.37500000000000 30.974 > 25 34 P 0.22077577921482 0.56422945206829 0.37500000000000 30.974 > 25 35 P 0.55410911254815 0.56422945206829 0.37500000000000 30.974 > 25 36 P 0.88744244588149 0.56422945206829 0.37500000000000 30.974 > 25 37 P 0.22077577921482 0.06422945206829 0.62500000000000 30.974 > 25 38 P 0.55410911254815 0.06422945206829 0.62500000000000 30.974 > 25 39 P 0.88744244588149 0.06422945206829 0.62500000000000 30.974 > 25 40 P 0.22077577921482 0.56422945206829 0.62500000000000 30.974 > 25 41 P 0.55410911254815 0.56422945206829 0.62500000000000 30.974 > 25 42 P 0.88744244588149 0.56422945206829 0.62500000000000 30.974 > 25 43 P 0.22077577921482 0.06422945206829 0.87500000000000 30.974 > 25 44 P 0.55410911254815 0.06422945206829 0.87500000000000 30.974 > 25 45 P 0.88744244588149 0.06422945206829 0.87500000000000 30.974 > 25 46 P 0.22077577921482 0.56422945206829 0.87500000000000 30.974 > 25 47 P 0.55410911254815 0.56422945206829 0.87500000000000 30.974 > 25 48 P 0.88744244588149 0.56422945206829 0.87500000000000 30.974 > 25 49 P 0.05410911254815 0.18577054793171 0.00000000000000 30.974 > 49 50 P 0.38744244588149 0.18577054793171 0.00000000000000 30.974 > 49 51 P 0.72077577921482 0.18577054793171 0.00000000000000 30.974 > 49 52 P 0.05410911254815 0.68577054793171 0.00000000000000 30.974 > 49 53 P 0.38744244588149 0.68577054793171 0.00000000000000 30.974 > 49 54 P 0.72077577921482 0.68577054793171 0.00000000000000 30.974 > 49 55 P 0.05410911254815 0.18577054793171 0.25000000000000 30.974 > 49 56 P 0.38744244588149 0.18577054793171 0.25000000000000 30.974 > 49 57 P 0.72077577921482 0.18577054793171 0.25000000000000 30.974 > 49 58 P 0.05410911254815 0.68577054793171 0.25000000000000 30.974 > 49 59 P 0.38744244588149 0.68577054793171 0.25000000000000 30.974 > 49 60 P 0.72077577921482 0.68577054793171 0.25000000000000 30.974 > 49 61 P 0.05410911254815 0.18577054793171 0.50000000000000 30.974 > 49 62 P 0.38744244588149 0.18577054793171 0.50000000000000 30.974 > 49 63 P 0.72077577921482 0.18577054793171 0.50000000000000 30.974 > 49 64 P 0.05410911254815 0.68577054793171 0.50000000000000 30.974 > 49 65 P 0.38744244588149 0.68577054793171 0.50000000000000 30.974 > 49 66 P 0.72077577921482 0.68577054793171 0.50000000000000 30.974 > 49 67 P 0.05410911254815 0.18577054793171 0.75000000000000 30.974 > 49 68 P 0.38744244588149 0.18577054793171 0.75000000000000 30.974 > 49 69 P 0.72077577921482 0.18577054793171 0.75000000000000 30.974 > 49 70 P 0.05410911254815 0.68577054793171 0.75000000000000 30.974 > 49 71 P 0.38744244588149 0.68577054793171 0.75000000000000 30.974 > 49 72 P 0.72077577921482 0.68577054793171 0.75000000000000 30.974 > 49 73 P 0.27922422078518 0.31422945206829 0.00000000000000 30.974 > 73 74 P 0.61255755411851 0.31422945206829 0.00000000000000 30.974 > 73 75 P 0.94589088745185 0.31422945206829 0.00000000000000 30.974 > 73 76 P 0.27922422078518 0.81422945206829 0.00000000000000 30.974 > 73 77 P 0.61255755411851 0.81422945206829 0.00000000000000 30.974 > 73 78 P 0.94589088745185 0.81422945206829 0.00000000000000 30.974 > 73 79 P 0.27922422078518 0.31422945206829 0.25000000000000 30.974 > 73 80 P 0.61255755411851 0.31422945206829 0.25000000000000 30.974 > 73 81 P 0.94589088745185 0.31422945206829 0.25000000000000 30.974 > 73 82 P 0.27922422078518 0.81422945206829 0.25000000000000 30.974 > 73 83 P 0.61255755411851 0.81422945206829 0.25000000000000 30.974 > 73 84 P 0.94589088745185 0.81422945206829 0.25000000000000 30.974 > 73 85 P 0.27922422078518 0.31422945206829 0.50000000000000 30.974 > 73 86 P 0.61255755411851 0.31422945206829 0.50000000000000 30.974 > 73 87 P 0.94589088745185 0.31422945206829 0.50000000000000 30.974 > 73 88 P 0.27922422078518 0.81422945206829 0.50000000000000 30.974 > 73 89 P 0.61255755411851 0.81422945206829 0.50000000000000 30.974 > 73 90 P 0.94589088745185 0.81422945206829 0.50000000000000 30.974 > 73 91 P 0.27922422078518 0.31422945206829 0.75000000000000 30.974 > 73 92 P 0.61255755411851 0.31422945206829 0.75000000000000 30.974 > 73 93 P 0.94589088745185 0.31422945206829 0.75000000000000 30.974 > 73 94 P 0.27922422078518 0.81422945206829 0.75000000000000 30.974 > 73 95 P 0.61255755411851 0.81422945206829 0.75000000000000 30.974 > 73 96 P 0.94589088745185 0.81422945206829 0.75000000000000 30.974 > 73 97 Os 0.16666666666667 0.25000000000000 0.12500000000000 190.230 > 97 98 Os 0.50000000000000 0.25000000000000 0.12500000000000 190.230 > 97 99 Os 0.83333333333333 0.25000000000000 0.12500000000000 190.230 > 97 100 Os 0.16666666666667 0.75000000000000 0.12500000000000 190.230 > 97 101 Os 0.50000000000000 0.75000000000000 0.12500000000000 190.230 > 97 102 Os 0.83333333333333 0.75000000000000 0.12500000000000 190.230 > 97 103 Os 0.16666666666667 0.25000000000000 0.37500000000000 190.230 > 97 104 Os 0.50000000000000 0.25000000000000 0.37500000000000 190.230 > 97 105 Os 0.83333333333333 0.25000000000000 0.37500000000000 190.230 > 97 106 Os 0.16666666666667 0.75000000000000 0.37500000000000 190.230 > 97 107 Os 0.50000000000000 0.75000000000000 0.37500000000000 190.230 > 97 108 Os 0.83333333333333 0.75000000000000 0.37500000000000 190.230 > 97 109 Os 0.16666666666667 0.25000000000000 0.62500000000000 190.230 > 97 110 Os 0.50000000000000 0.25000000000000 0.62500000000000 190.230 > 97 111 Os 0.83333333333333 0.25000000000000 0.62500000000000 190.230 > 97 112 Os 0.16666666666667 0.75000000000000 0.62500000000000 190.230 > 97 113 Os 0.50000000000000 0.75000000000000 0.62500000000000 190.230 > 97 114 Os 0.83333333333333 0.75000000000000 0.62500000000000 190.230 > 97 115 Os 0.16666666666667 0.25000000000000 0.87500000000000 190.230 > 97 116 Os 0.50000000000000 0.25000000000000 0.87500000000000 190.230 > 97 117 Os 0.83333333333333 0.25000000000000 0.87500000000000 190.230 > 97 118 Os 0.16666666666667 0.75000000000000 0.87500000000000 190.230 > 97 119 Os 0.50000000000000 0.75000000000000 0.87500000000000 190.230 > 97 120 Os 0.83333333333333 0.75000000000000 0.87500000000000 190.230 > 97 121 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 121 122 Os 0.33333333333333 0.00000000000000 0.00000000000000 190.230 > 121 123 Os 0.66666666666667 0.00000000000000 0.00000000000000 190.230 > 121 124 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 121 125 Os 0.33333333333333 0.50000000000000 0.00000000000000 190.230 > 121 126 Os 0.66666666666667 0.50000000000000 0.00000000000000 190.230 > 121 127 Os 0.00000000000000 0.00000000000000 0.25000000000000 190.230 > 121 128 Os 0.33333333333333 0.00000000000000 0.25000000000000 190.230 > 121 129 Os 0.66666666666667 0.00000000000000 0.25000000000000 190.230 > 121 130 Os 0.00000000000000 0.50000000000000 0.25000000000000 190.230 > 121 131 Os 0.33333333333333 0.50000000000000 0.25000000000000 190.230 > 121 132 Os 0.66666666666667 0.50000000000000 0.25000000000000 190.230 > 121 133 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 121 134 Os 0.33333333333333 0.00000000000000 0.50000000000000 190.230 > 121 135 Os 0.66666666666667 0.00000000000000 0.50000000000000 190.230 > 121 136 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 121 137 Os 0.33333333333333 0.50000000000000 0.50000000000000 190.230 > 121 138 Os 0.66666666666667 0.50000000000000 0.50000000000000 190.230 > 121 139 Os 0.00000000000000 0.00000000000000 0.75000000000000 190.230 > 121 140 Os 0.33333333333333 0.00000000000000 0.75000000000000 190.230 > 121 141 Os 0.66666666666667 0.00000000000000 0.75000000000000 190.230 > 121 142 Os 0.00000000000000 0.50000000000000 0.75000000000000 190.230 > 121 143 Os 0.33333333333333 0.50000000000000 0.75000000000000 190.230 > 121 144 Os 0.66666666666667 0.50000000000000 0.75000000000000 190.230 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 18.5196181 0.0000000 0.0000000 0.0000000 21.1388464 0.0000000 0.0000000 0.0000000 15.2696883 -------------------------- Born effective charges -------------------------- 1 P 3.3373146 -0.4681714 0.0000000 -0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 2 P 3.3373146 -0.4681714 0.0000000 -0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 3 P 3.3373146 0.4681714 0.0000000 0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 4 P 3.3373146 0.4681714 0.0000000 0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 5 Os -6.6746292 0.0309101 0.0000000 -1.3417272 -5.9195834 0.0000000 0.0000000 0.0000000 -6.8374489 6 Os -6.6746292 -0.0309101 0.0000000 1.3417272 -5.9195834 0.0000000 0.0000000 0.0000000 -6.8374489 ---------------------------------------------------------------------------- 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 2026-01-07 19:07:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:07:38]------------------------- 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 5.093077559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.889904220000000 0.000000000000000 c 0.000000000000000 0.000000000000000 2.911493440000000 Atomic positions (fractional): 1 P 0.33767266235554 0.87154109586341 0.50000000000000 30.974 2 P 0.66232733764446 0.12845890413659 0.50000000000000 30.974 3 P 0.16232733764446 0.37154109586341 0.00000000000000 30.974 4 P 0.83767266235554 0.62845890413659 0.00000000000000 30.974 5 Os 0.50000000000000 0.50000000000000 0.50000000000000 190.230 6 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.279232679999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.779808440000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.645973760000000 Atomic positions (fractional): 1 P 0.11255755411851 0.43577054793171 0.12500000000000 30.974 > 1 2 P 0.44589088745185 0.43577054793171 0.12500000000000 30.974 > 1 3 P 0.77922422078518 0.43577054793171 0.12500000000000 30.974 > 1 4 P 0.11255755411851 0.93577054793171 0.12500000000000 30.974 > 1 5 P 0.44589088745185 0.93577054793171 0.12500000000000 30.974 > 1 6 P 0.77922422078518 0.93577054793171 0.12500000000000 30.974 > 1 7 P 0.11255755411851 0.43577054793171 0.37500000000000 30.974 > 1 8 P 0.44589088745185 0.43577054793171 0.37500000000000 30.974 > 1 9 P 0.77922422078518 0.43577054793171 0.37500000000000 30.974 > 1 10 P 0.11255755411851 0.93577054793171 0.37500000000000 30.974 > 1 11 P 0.44589088745185 0.93577054793171 0.37500000000000 30.974 > 1 12 P 0.77922422078518 0.93577054793171 0.37500000000000 30.974 > 1 13 P 0.11255755411851 0.43577054793171 0.62500000000000 30.974 > 1 14 P 0.44589088745185 0.43577054793171 0.62500000000000 30.974 > 1 15 P 0.77922422078518 0.43577054793171 0.62500000000000 30.974 > 1 16 P 0.11255755411851 0.93577054793171 0.62500000000000 30.974 > 1 17 P 0.44589088745185 0.93577054793171 0.62500000000000 30.974 > 1 18 P 0.77922422078518 0.93577054793171 0.62500000000000 30.974 > 1 19 P 0.11255755411851 0.43577054793171 0.87500000000000 30.974 > 1 20 P 0.44589088745185 0.43577054793171 0.87500000000000 30.974 > 1 21 P 0.77922422078518 0.43577054793171 0.87500000000000 30.974 > 1 22 P 0.11255755411851 0.93577054793171 0.87500000000000 30.974 > 1 23 P 0.44589088745185 0.93577054793171 0.87500000000000 30.974 > 1 24 P 0.77922422078518 0.93577054793171 0.87500000000000 30.974 > 1 25 P 0.22077577921482 0.06422945206829 0.12500000000000 30.974 > 25 26 P 0.55410911254815 0.06422945206829 0.12500000000000 30.974 > 25 27 P 0.88744244588149 0.06422945206829 0.12500000000000 30.974 > 25 28 P 0.22077577921482 0.56422945206829 0.12500000000000 30.974 > 25 29 P 0.55410911254815 0.56422945206829 0.12500000000000 30.974 > 25 30 P 0.88744244588149 0.56422945206829 0.12500000000000 30.974 > 25 31 P 0.22077577921482 0.06422945206829 0.37500000000000 30.974 > 25 32 P 0.55410911254815 0.06422945206829 0.37500000000000 30.974 > 25 33 P 0.88744244588149 0.06422945206829 0.37500000000000 30.974 > 25 34 P 0.22077577921482 0.56422945206829 0.37500000000000 30.974 > 25 35 P 0.55410911254815 0.56422945206829 0.37500000000000 30.974 > 25 36 P 0.88744244588149 0.56422945206829 0.37500000000000 30.974 > 25 37 P 0.22077577921482 0.06422945206829 0.62500000000000 30.974 > 25 38 P 0.55410911254815 0.06422945206829 0.62500000000000 30.974 > 25 39 P 0.88744244588149 0.06422945206829 0.62500000000000 30.974 > 25 40 P 0.22077577921482 0.56422945206829 0.62500000000000 30.974 > 25 41 P 0.55410911254815 0.56422945206829 0.62500000000000 30.974 > 25 42 P 0.88744244588149 0.56422945206829 0.62500000000000 30.974 > 25 43 P 0.22077577921482 0.06422945206829 0.87500000000000 30.974 > 25 44 P 0.55410911254815 0.06422945206829 0.87500000000000 30.974 > 25 45 P 0.88744244588149 0.06422945206829 0.87500000000000 30.974 > 25 46 P 0.22077577921482 0.56422945206829 0.87500000000000 30.974 > 25 47 P 0.55410911254815 0.56422945206829 0.87500000000000 30.974 > 25 48 P 0.88744244588149 0.56422945206829 0.87500000000000 30.974 > 25 49 P 0.05410911254815 0.18577054793171 0.00000000000000 30.974 > 49 50 P 0.38744244588149 0.18577054793171 0.00000000000000 30.974 > 49 51 P 0.72077577921482 0.18577054793171 0.00000000000000 30.974 > 49 52 P 0.05410911254815 0.68577054793171 0.00000000000000 30.974 > 49 53 P 0.38744244588149 0.68577054793171 0.00000000000000 30.974 > 49 54 P 0.72077577921482 0.68577054793171 0.00000000000000 30.974 > 49 55 P 0.05410911254815 0.18577054793171 0.25000000000000 30.974 > 49 56 P 0.38744244588149 0.18577054793171 0.25000000000000 30.974 > 49 57 P 0.72077577921482 0.18577054793171 0.25000000000000 30.974 > 49 58 P 0.05410911254815 0.68577054793171 0.25000000000000 30.974 > 49 59 P 0.38744244588149 0.68577054793171 0.25000000000000 30.974 > 49 60 P 0.72077577921482 0.68577054793171 0.25000000000000 30.974 > 49 61 P 0.05410911254815 0.18577054793171 0.50000000000000 30.974 > 49 62 P 0.38744244588149 0.18577054793171 0.50000000000000 30.974 > 49 63 P 0.72077577921482 0.18577054793171 0.50000000000000 30.974 > 49 64 P 0.05410911254815 0.68577054793171 0.50000000000000 30.974 > 49 65 P 0.38744244588149 0.68577054793171 0.50000000000000 30.974 > 49 66 P 0.72077577921482 0.68577054793171 0.50000000000000 30.974 > 49 67 P 0.05410911254815 0.18577054793171 0.75000000000000 30.974 > 49 68 P 0.38744244588149 0.18577054793171 0.75000000000000 30.974 > 49 69 P 0.72077577921482 0.18577054793171 0.75000000000000 30.974 > 49 70 P 0.05410911254815 0.68577054793171 0.75000000000000 30.974 > 49 71 P 0.38744244588149 0.68577054793171 0.75000000000000 30.974 > 49 72 P 0.72077577921482 0.68577054793171 0.75000000000000 30.974 > 49 73 P 0.27922422078518 0.31422945206829 0.00000000000000 30.974 > 73 74 P 0.61255755411851 0.31422945206829 0.00000000000000 30.974 > 73 75 P 0.94589088745185 0.31422945206829 0.00000000000000 30.974 > 73 76 P 0.27922422078518 0.81422945206829 0.00000000000000 30.974 > 73 77 P 0.61255755411851 0.81422945206829 0.00000000000000 30.974 > 73 78 P 0.94589088745185 0.81422945206829 0.00000000000000 30.974 > 73 79 P 0.27922422078518 0.31422945206829 0.25000000000000 30.974 > 73 80 P 0.61255755411851 0.31422945206829 0.25000000000000 30.974 > 73 81 P 0.94589088745185 0.31422945206829 0.25000000000000 30.974 > 73 82 P 0.27922422078518 0.81422945206829 0.25000000000000 30.974 > 73 83 P 0.61255755411851 0.81422945206829 0.25000000000000 30.974 > 73 84 P 0.94589088745185 0.81422945206829 0.25000000000000 30.974 > 73 85 P 0.27922422078518 0.31422945206829 0.50000000000000 30.974 > 73 86 P 0.61255755411851 0.31422945206829 0.50000000000000 30.974 > 73 87 P 0.94589088745185 0.31422945206829 0.50000000000000 30.974 > 73 88 P 0.27922422078518 0.81422945206829 0.50000000000000 30.974 > 73 89 P 0.61255755411851 0.81422945206829 0.50000000000000 30.974 > 73 90 P 0.94589088745185 0.81422945206829 0.50000000000000 30.974 > 73 91 P 0.27922422078518 0.31422945206829 0.75000000000000 30.974 > 73 92 P 0.61255755411851 0.31422945206829 0.75000000000000 30.974 > 73 93 P 0.94589088745185 0.31422945206829 0.75000000000000 30.974 > 73 94 P 0.27922422078518 0.81422945206829 0.75000000000000 30.974 > 73 95 P 0.61255755411851 0.81422945206829 0.75000000000000 30.974 > 73 96 P 0.94589088745185 0.81422945206829 0.75000000000000 30.974 > 73 97 Os 0.16666666666667 0.25000000000000 0.12500000000000 190.230 > 97 98 Os 0.50000000000000 0.25000000000000 0.12500000000000 190.230 > 97 99 Os 0.83333333333333 0.25000000000000 0.12500000000000 190.230 > 97 100 Os 0.16666666666667 0.75000000000000 0.12500000000000 190.230 > 97 101 Os 0.50000000000000 0.75000000000000 0.12500000000000 190.230 > 97 102 Os 0.83333333333333 0.75000000000000 0.12500000000000 190.230 > 97 103 Os 0.16666666666667 0.25000000000000 0.37500000000000 190.230 > 97 104 Os 0.50000000000000 0.25000000000000 0.37500000000000 190.230 > 97 105 Os 0.83333333333333 0.25000000000000 0.37500000000000 190.230 > 97 106 Os 0.16666666666667 0.75000000000000 0.37500000000000 190.230 > 97 107 Os 0.50000000000000 0.75000000000000 0.37500000000000 190.230 > 97 108 Os 0.83333333333333 0.75000000000000 0.37500000000000 190.230 > 97 109 Os 0.16666666666667 0.25000000000000 0.62500000000000 190.230 > 97 110 Os 0.50000000000000 0.25000000000000 0.62500000000000 190.230 > 97 111 Os 0.83333333333333 0.25000000000000 0.62500000000000 190.230 > 97 112 Os 0.16666666666667 0.75000000000000 0.62500000000000 190.230 > 97 113 Os 0.50000000000000 0.75000000000000 0.62500000000000 190.230 > 97 114 Os 0.83333333333333 0.75000000000000 0.62500000000000 190.230 > 97 115 Os 0.16666666666667 0.25000000000000 0.87500000000000 190.230 > 97 116 Os 0.50000000000000 0.25000000000000 0.87500000000000 190.230 > 97 117 Os 0.83333333333333 0.25000000000000 0.87500000000000 190.230 > 97 118 Os 0.16666666666667 0.75000000000000 0.87500000000000 190.230 > 97 119 Os 0.50000000000000 0.75000000000000 0.87500000000000 190.230 > 97 120 Os 0.83333333333333 0.75000000000000 0.87500000000000 190.230 > 97 121 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 121 122 Os 0.33333333333333 0.00000000000000 0.00000000000000 190.230 > 121 123 Os 0.66666666666667 0.00000000000000 0.00000000000000 190.230 > 121 124 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 121 125 Os 0.33333333333333 0.50000000000000 0.00000000000000 190.230 > 121 126 Os 0.66666666666667 0.50000000000000 0.00000000000000 190.230 > 121 127 Os 0.00000000000000 0.00000000000000 0.25000000000000 190.230 > 121 128 Os 0.33333333333333 0.00000000000000 0.25000000000000 190.230 > 121 129 Os 0.66666666666667 0.00000000000000 0.25000000000000 190.230 > 121 130 Os 0.00000000000000 0.50000000000000 0.25000000000000 190.230 > 121 131 Os 0.33333333333333 0.50000000000000 0.25000000000000 190.230 > 121 132 Os 0.66666666666667 0.50000000000000 0.25000000000000 190.230 > 121 133 Os 0.00000000000000 0.00000000000000 0.50000000000000 190.230 > 121 134 Os 0.33333333333333 0.00000000000000 0.50000000000000 190.230 > 121 135 Os 0.66666666666667 0.00000000000000 0.50000000000000 190.230 > 121 136 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 121 137 Os 0.33333333333333 0.50000000000000 0.50000000000000 190.230 > 121 138 Os 0.66666666666667 0.50000000000000 0.50000000000000 190.230 > 121 139 Os 0.00000000000000 0.00000000000000 0.75000000000000 190.230 > 121 140 Os 0.33333333333333 0.00000000000000 0.75000000000000 190.230 > 121 141 Os 0.66666666666667 0.00000000000000 0.75000000000000 190.230 > 121 142 Os 0.00000000000000 0.50000000000000 0.75000000000000 190.230 > 121 143 Os 0.33333333333333 0.50000000000000 0.75000000000000 190.230 > 121 144 Os 0.66666666666667 0.50000000000000 0.75000000000000 190.230 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 18.5196181 0.0000000 0.0000000 0.0000000 21.1388464 0.0000000 0.0000000 0.0000000 15.2696883 -------------------------- Born effective charges -------------------------- 1 P 3.3373146 -0.4681714 0.0000000 -0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 2 P 3.3373146 -0.4681714 0.0000000 -0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 3 P 3.3373146 0.4681714 0.0000000 0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 4 P 3.3373146 0.4681714 0.0000000 0.5222337 2.9597917 0.0000000 0.0000000 0.0000000 3.4187244 5 Os -6.6746292 0.0309101 0.0000000 -1.3417272 -5.9195834 0.0000000 0.0000000 0.0000000 -6.8374489 6 Os -6.6746292 -0.0309101 0.0000000 1.3417272 -5.9195834 0.0000000 0.0000000 0.0000000 -6.8374489 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 8 17 ] 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: 0.94, Number of G-points: 299, Lambda: 0.42 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 270 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 4.655 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 8.165 ( 0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.212 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 14.707 ( 0.000 0.000 0.000) 0.000 16.107 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 43.980 0.000 0.000) 43.980 0.916 ( 45.807 0.000 0.000) 45.807 1.311 ( 65.018 0.000 0.000) 65.018 4.629 ( -2.730 0.000 0.000) 2.730 5.187 ( 2.630 0.000 0.000) 2.630 5.294 ( -5.860 0.000 0.000) 5.860 7.261 ( 2.102 0.000 0.000) 2.102 7.731 ( -2.583 0.000 0.000) 2.583 8.190 ( 2.287 0.000 0.000) 2.287 8.255 ( -0.047 0.000 0.000) 0.047 8.566 ( -1.725 0.000 0.000) 1.725 9.269 ( -8.731 0.000 0.000) 8.731 11.286 ( 7.459 0.000 0.000) 7.459 12.815 ( 4.348 0.000 0.000) 4.348 13.484 ( -4.161 0.000 0.000) 4.161 13.651 ( 8.274 0.000 0.000) 8.274 14.652 ( -5.483 0.000 0.000) 5.483 16.045 ( -6.299 0.000 0.000) 6.299 ======================= Grid point 2 (3/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 41.862 0.000 0.000) 41.862 1.783 ( 42.172 0.000 0.000) 42.172 2.521 ( 57.509 0.000 0.000) 57.509 4.543 ( -6.172 0.000 0.000) 6.172 5.121 ( -11.766 0.000 0.000) 11.766 5.246 ( 2.752 0.000 0.000) 2.752 7.317 ( 3.498 0.000 0.000) 3.498 7.670 ( -3.428 0.000 0.000) 3.428 8.244 ( 2.905 0.000 0.000) 2.905 8.252 ( -0.262 0.000 0.000) 0.262 8.520 ( -2.841 0.000 0.000) 2.841 9.040 ( -13.850 0.000 0.000) 13.850 11.494 ( 13.360 0.000 0.000) 13.360 12.929 ( 6.454 0.000 0.000) 6.454 13.375 ( -6.137 0.000 0.000) 6.137 13.874 ( 13.930 0.000 0.000) 13.930 14.500 ( -9.782 0.000 0.000) 9.782 15.866 ( -11.657 0.000 0.000) 11.657 ======================= Grid point 3 (4/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 38.623 0.000 0.000) 38.623 2.559 ( 36.636 0.000 0.000) 36.636 3.543 ( 45.882 0.000 0.000) 45.882 4.379 ( -10.684 0.000 0.000) 10.684 4.834 ( -17.247 0.000 0.000) 17.247 5.270 ( -1.000 0.000 0.000) 1.000 7.390 ( 3.699 0.000 0.000) 3.699 7.605 ( -3.071 0.000 0.000) 3.071 8.247 ( -0.040 0.000 0.000) 0.040 8.297 ( 2.447 0.000 0.000) 2.447 8.461 ( -2.961 0.000 0.000) 2.961 8.756 ( -14.285 0.000 0.000) 14.285 11.795 ( 16.800 0.000 0.000) 16.800 12.979 ( -4.496 0.000 0.000) 4.496 13.327 ( 4.232 0.000 0.000) 4.232 14.181 ( 17.064 0.000 0.000) 17.064 14.280 ( -12.351 0.000 0.000) 12.351 15.597 ( -15.529 0.000 0.000) 15.529 ======================= Grid point 4 (5/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 29.918 0.000 0.000) 29.918 3.228 ( 34.374 0.000 0.000) 34.374 4.116 ( -16.311 0.000 0.000) 16.311 4.226 ( 9.547 0.000 0.000) 9.547 4.528 ( 0.058 0.000 0.000) 0.058 5.180 ( -8.795 0.000 0.000) 8.795 7.456 ( 2.947 0.000 0.000) 2.947 7.551 ( -2.412 0.000 0.000) 2.412 8.261 ( 1.875 0.000 0.000) 1.875 8.338 ( 1.797 0.000 0.000) 1.797 8.409 ( -2.285 0.000 0.000) 2.285 8.504 ( -10.992 0.000 0.000) 10.992 12.137 ( 17.743 0.000 0.000) 17.743 12.780 ( -13.699 0.000 0.000) 13.699 13.508 ( 11.999 0.000 0.000) 11.999 14.025 ( -13.392 0.000 0.000) 13.392 14.534 ( 18.609 0.000 0.000) 18.609 15.267 ( -17.873 0.000 0.000) 17.873 ======================= Grid point 5 (6/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( -22.883 0.000 0.000) 22.883 3.732 ( 22.883 0.000 0.000) 22.883 3.851 ( -28.685 0.000 0.000) 28.685 3.851 ( 28.685 0.000 0.000) 28.685 4.905 ( -19.448 0.000 0.000) 19.448 4.905 ( 19.448 0.000 0.000) 19.448 7.506 ( -2.272 0.000 0.000) 2.272 7.506 ( 2.272 0.000 0.000) 2.272 8.336 ( -6.023 0.000 0.000) 6.023 8.336 ( 6.023 0.000 0.000) 6.023 8.371 ( -1.674 0.000 0.000) 1.674 8.371 ( 1.674 0.000 0.000) 1.674 12.478 ( -16.671 0.000 0.000) 16.671 12.478 ( 16.671 0.000 0.000) 16.671 13.761 ( -13.362 0.000 0.000) 13.362 13.761 ( 13.362 0.000 0.000) 13.362 14.904 ( -18.871 0.000 0.000) 18.871 14.904 ( 18.871 0.000 0.000) 18.871 ======================= Grid point 11 (7/270) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 33.131 0.000) 33.131 0.993 ( 0.000 45.906 0.000) 45.906 1.592 ( 0.000 71.444 0.000) 71.444 4.526 ( 0.000 -12.003 0.000) 12.003 5.070 ( 0.000 -8.961 0.000) 8.961 5.320 ( 0.000 -1.725 0.000) 1.725 7.197 ( 0.000 -3.069 0.000) 3.069 7.704 ( 0.000 -4.800 0.000) 4.800 8.260 ( 0.000 7.933 0.000) 7.933 8.596 ( 0.000 -4.776 0.000) 4.776 8.622 ( 0.000 3.176 0.000) 3.176 8.726 ( 0.000 -8.071 0.000) 8.071 11.218 ( 0.000 11.145 0.000) 11.145 12.433 ( 0.000 5.130 0.000) 5.130 13.504 ( 0.000 -2.537 0.000) 2.537 13.726 ( 0.000 14.804 0.000) 14.804 14.681 ( 0.000 -2.834 0.000) 2.834 16.024 ( 0.000 -7.650 0.000) 7.650 ======================= Grid point 12 (8/270) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 36.391 19.890 0.000) 41.472 1.287 ( 26.869 32.642 0.000) 42.278 2.048 ( 39.895 53.983 0.000) 67.125 4.510 ( -1.809 -11.126 0.000) 11.272 5.041 ( -3.052 -11.124 0.000) 11.535 5.329 ( 0.728 0.923 0.000) 1.175 7.217 ( 2.032 -3.073 0.000) 3.684 7.704 ( 0.014 -3.185 0.000) 3.185 8.251 ( -0.952 5.783 0.000) 5.861 8.314 ( -8.519 1.570 0.000) 8.663 8.609 ( -1.308 3.430 0.000) 3.671 8.995 ( 4.195 -17.567 0.000) 18.061 11.258 ( 5.242 4.651 0.000) 7.007 12.705 ( 17.635 -1.406 0.000) 17.691 13.473 ( -4.046 -2.236 0.000) 4.623 13.769 ( 5.232 12.531 0.000) 13.579 14.641 ( -4.193 -1.909 0.000) 4.607 15.961 ( -6.366 -7.752 0.000) 10.031 ======================= Grid point 13 (9/270) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 39.033 11.526 0.000) 40.699 1.914 ( 34.690 17.409 0.000) 38.813 2.936 ( 47.102 34.566 0.000) 58.425 4.449 ( -4.602 -8.774 0.000) 9.908 4.927 ( -9.004 -13.151 0.000) 15.938 5.354 ( 1.704 5.140 0.000) 5.415 7.273 ( 3.499 -2.943 0.000) 4.572 7.704 ( -0.151 1.212 0.000) 1.222 8.224 ( -2.232 -2.523 0.000) 3.368 8.227 ( -1.245 0.246 0.000) 1.269 8.572 ( -2.415 3.732 0.000) 4.445 8.917 ( -9.500 -10.640 0.000) 14.264 11.427 ( 11.619 -2.101 0.000) 11.808 12.994 ( 12.157 5.006 0.000) 13.148 13.337 ( -9.013 -3.817 0.000) 9.788 13.938 ( 11.344 7.264 0.000) 13.470 14.519 ( -7.940 0.798 0.000) 7.980 15.782 ( -11.614 -7.868 0.000) 14.028 ======================= Grid point 14 (10/270) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 34.355 8.299 0.000) 35.343 2.640 ( 34.804 7.407 0.000) 35.584 3.814 ( 40.818 23.483 0.000) 47.091 4.320 ( -8.812 -5.571 0.000) 10.426 4.688 ( -14.963 -11.578 0.000) 18.919 5.372 ( -0.697 7.349 0.000) 7.382 7.350 ( 4.306 -2.191 0.000) 4.831 7.690 ( -1.601 5.902 0.000) 6.115 8.200 ( -0.394 -4.051 0.000) 4.070 8.216 ( 0.475 -5.298 0.000) 5.319 8.514 ( -3.483 3.030 0.000) 4.616 8.689 ( -12.520 -6.150 0.000) 13.949 11.699 ( 15.738 -6.213 0.000) 16.920 13.038 ( -11.757 2.285 0.000) 11.977 13.305 ( 10.420 -0.414 0.000) 10.428 14.166 ( 8.057 1.387 0.000) 8.176 14.365 ( -4.098 5.035 0.000) 6.492 15.517 ( -15.050 -7.522 0.000) 16.825 ======================= Grid point 15 (11/270) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 31.294 2.046 0.000) 31.361 3.261 ( 28.287 4.328 0.000) 28.616 4.094 ( -14.412 -2.104 0.000) 14.565 4.268 ( -15.279 -1.807 0.000) 15.385 4.583 ( 24.497 10.709 0.000) 26.735 5.296 ( -7.836 9.451 0.000) 12.277 7.440 ( 4.906 -0.157 0.000) 4.909 7.634 ( -4.045 6.352 0.000) 7.531 8.214 ( 2.055 -4.162 0.000) 4.642 8.255 ( 3.467 -6.057 0.000) 6.980 8.435 ( -4.530 0.706 0.000) 4.584 8.458 ( -10.507 -4.204 0.000) 11.317 12.033 ( 17.920 -8.110 0.000) 19.670 12.741 ( -16.977 -4.515 0.000) 17.567 13.551 ( 13.300 4.187 0.000) 13.944 14.061 ( -11.672 3.374 0.000) 12.150 14.548 ( 15.579 1.001 0.000) 15.611 15.203 ( -16.666 -6.087 0.000) 17.742 ======================= Grid point 16 (12/270) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -21.121 1.243 0.000) 21.157 3.746 ( 21.121 1.243 0.000) 21.157 3.817 ( -26.701 -2.613 0.000) 26.828 3.817 ( 26.701 -2.613 0.000) 26.828 5.041 ( -18.451 11.832 0.000) 21.919 5.041 ( 18.451 11.832 0.000) 21.919 7.541 ( -5.158 3.175 0.000) 6.057 7.541 ( 5.158 3.175 0.000) 6.057 8.292 ( -6.173 -3.880 0.000) 7.291 8.292 ( 6.173 -3.880 0.000) 7.291 8.340 ( -4.886 -2.863 0.000) 5.664 8.340 ( 4.886 -2.863 0.000) 5.664 12.391 ( -18.324 -7.510 0.000) 19.803 12.391 ( 18.324 -7.510 0.000) 19.803 13.813 ( -13.189 4.696 0.000) 14.000 13.813 ( 13.189 4.696 0.000) 14.000 14.871 ( -16.891 -3.221 0.000) 17.195 14.871 ( 16.891 -3.221 0.000) 17.195 ======================= Grid point 22 (13/270) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 34.454 0.000) 34.454 1.934 ( 0.000 42.465 0.000) 42.465 2.961 ( 0.000 55.906 0.000) 55.906 4.154 ( 0.000 -22.698 0.000) 22.698 4.795 ( 0.000 -16.452 0.000) 16.452 5.257 ( 0.000 -4.536 0.000) 4.536 7.152 ( 0.000 -0.533 0.000) 0.533 7.575 ( 0.000 -6.977 0.000) 6.977 8.452 ( 0.000 9.162 0.000) 9.162 8.467 ( 0.000 -6.763 0.000) 6.763 8.520 ( 0.000 -10.129 0.000) 10.129 8.696 ( 0.000 3.273 0.000) 3.273 11.543 ( 0.000 18.684 0.000) 18.684 12.575 ( 0.000 6.822 0.000) 6.822 13.449 ( 0.000 -1.290 0.000) 1.290 14.136 ( 0.000 22.405 0.000) 22.405 14.563 ( 0.000 -8.922 0.000) 8.922 15.798 ( 0.000 -13.175 0.000) 13.175 ======================= Grid point 23 (14/270) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 24.304 28.510 0.000) 37.463 2.054 ( 12.231 37.455 0.000) 39.401 3.199 ( 22.574 49.865 0.000) 54.736 4.165 ( 0.894 -21.031 0.000) 21.050 4.743 ( -4.895 -16.478 0.000) 17.190 5.310 ( 4.831 -2.963 0.000) 5.668 7.173 ( 2.138 -0.497 0.000) 2.195 7.595 ( 2.122 -6.594 0.000) 6.927 8.286 ( -8.839 -3.217 0.000) 9.406 8.412 ( -3.984 8.464 0.000) 9.355 8.653 ( 3.938 -14.382 0.000) 14.911 8.684 ( -1.308 3.081 0.000) 3.347 11.506 ( -1.980 17.004 0.000) 17.119 12.749 ( 14.483 2.540 0.000) 14.704 13.418 ( -3.536 -0.738 0.000) 3.612 14.140 ( 0.865 20.827 0.000) 20.845 14.545 ( -1.826 -7.778 0.000) 7.989 15.732 ( -6.635 -13.297 0.000) 14.861 ======================= Grid point 24 (15/270) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 31.762 19.870 0.000) 37.465 2.394 ( 21.398 26.330 0.000) 33.928 3.759 ( 32.282 37.830 0.000) 49.732 4.177 ( -0.052 -16.593 0.000) 16.593 4.613 ( -8.242 -15.278 0.000) 17.360 5.420 ( 5.833 0.757 0.000) 5.882 7.235 ( 4.101 -0.172 0.000) 4.105 7.660 ( 4.526 -5.146 0.000) 6.853 8.157 ( -4.443 -3.259 0.000) 5.510 8.302 ( -6.885 6.435 0.000) 9.424 8.640 ( -3.261 2.176 0.000) 3.920 8.644 ( -4.348 -13.847 0.000) 14.514 11.517 ( 3.489 10.679 0.000) 11.235 13.018 ( 9.176 -7.827 0.000) 12.061 13.314 ( -4.592 7.083 0.000) 8.441 14.188 ( 4.067 15.192 0.000) 15.727 14.492 ( -3.446 -4.101 0.000) 5.357 15.548 ( -11.781 -13.595 0.000) 17.989 ======================= Grid point 25 (16/270) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( 24.512 15.297 0.000) 28.894 2.862 ( 29.697 13.207 0.000) 32.501 4.146 ( -3.504 -10.656 0.000) 11.217 4.365 ( 11.483 -0.028 0.000) 11.483 4.449 ( 8.006 15.090 0.000) 17.082 5.515 ( 3.139 5.194 0.000) 6.069 7.333 ( 5.969 0.893 0.000) 6.035 7.763 ( 5.175 -0.898 0.000) 5.252 8.103 ( -1.220 -4.336 0.000) 4.504 8.159 ( -6.841 1.709 0.000) 7.052 8.510 ( -8.523 -10.193 0.000) 13.286 8.553 ( -5.656 0.329 0.000) 5.666 11.643 ( 9.335 2.386 0.000) 9.635 12.920 ( -15.037 -12.748 0.000) 19.714 13.427 ( 12.566 11.321 0.000) 16.913 14.261 ( 0.592 6.530 0.000) 6.557 14.441 ( 0.721 1.920 0.000) 2.050 15.288 ( -14.185 -13.540 0.000) 19.610 ======================= Grid point 26 (17/270) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( 23.537 5.959 0.000) 24.280 3.389 ( 23.568 7.468 0.000) 24.723 4.025 ( -9.093 -4.362 0.000) 10.085 4.127 ( -16.369 -9.126 0.000) 18.741 4.965 ( 24.377 21.490 0.000) 32.497 5.516 ( -3.777 10.010 0.000) 10.699 7.470 ( 7.880 2.957 0.000) 8.417 7.787 ( -4.555 7.386 0.000) 8.678 8.110 ( 2.094 -4.860 0.000) 5.292 8.111 ( 3.780 -6.855 0.000) 7.828 8.336 ( -8.669 -6.933 0.000) 11.100 8.419 ( -7.873 -2.298 0.000) 8.202 11.879 ( 14.483 -4.815 0.000) 15.263 12.573 ( -19.027 -10.941 0.000) 21.948 13.690 ( 13.574 8.823 0.000) 16.189 14.161 ( -8.985 5.647 0.000) 10.612 14.557 ( 9.095 -0.462 0.000) 9.106 15.010 ( -13.634 -11.751 0.000) 17.999 ======================= Grid point 27 (18/270) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -20.469 -2.085 0.000) 20.575 3.764 ( 20.469 -2.085 0.000) 20.575 3.779 ( -16.124 1.714 0.000) 16.215 3.779 ( 16.124 1.714 0.000) 16.215 5.345 ( -13.977 15.224 0.000) 20.667 5.345 ( 13.977 15.224 0.000) 20.667 7.638 ( -8.909 5.839 0.000) 10.652 7.638 ( 8.909 5.839 0.000) 10.652 8.189 ( -5.928 -5.332 0.000) 7.973 8.189 ( 5.928 -5.332 0.000) 7.973 8.252 ( -8.712 -5.381 0.000) 10.240 8.252 ( 8.712 -5.381 0.000) 10.240 12.203 ( -18.153 -9.194 0.000) 20.349 12.203 ( 18.153 -9.194 0.000) 20.349 13.947 ( -12.349 7.636 0.000) 14.519 13.947 ( 12.349 7.636 0.000) 14.519 14.762 ( -11.572 -7.024 0.000) 13.537 14.762 ( 11.572 -7.024 0.000) 13.537 ======================= Grid point 33 (19/270) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 0.000 35.262 0.000) 35.262 2.787 ( 0.000 37.718 0.000) 37.718 3.586 ( 0.000 -30.270 0.000) 30.270 3.824 ( 0.000 15.721 0.000) 15.721 4.486 ( 0.000 -2.999 0.000) 2.999 5.108 ( 0.000 -10.096 0.000) 10.096 7.182 ( 0.000 3.263 0.000) 3.263 7.422 ( 0.000 -7.137 0.000) 7.137 8.335 ( 0.000 -5.050 0.000) 5.050 8.340 ( 0.000 -6.161 0.000) 6.161 8.623 ( 0.000 6.613 0.000) 6.613 8.743 ( 0.000 0.873 0.000) 0.873 11.971 ( 0.000 20.594 0.000) 20.594 12.618 ( 0.000 -4.922 0.000) 4.922 13.539 ( 0.000 11.347 0.000) 11.347 14.289 ( 0.000 -16.642 0.000) 16.642 14.628 ( 0.000 23.083 0.000) 23.083 15.480 ( 0.000 -16.657 0.000) 16.657 ======================= Grid point 34 (20/270) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 16.091 31.708 0.000) 35.557 2.831 ( 4.800 35.196 0.000) 35.521 3.638 ( 4.986 -28.064 0.000) 28.503 3.923 ( 8.510 5.059 0.000) 9.901 4.498 ( 2.481 6.055 0.000) 6.543 5.187 ( 7.424 -9.175 0.000) 11.802 7.203 ( 2.219 3.271 0.000) 3.953 7.445 ( 2.409 -7.159 0.000) 7.554 8.225 ( -6.127 -1.593 0.000) 6.330 8.393 ( 0.730 -9.806 0.000) 9.833 8.579 ( -4.359 6.851 0.000) 8.120 8.722 ( -2.204 0.300 0.000) 2.224 11.922 ( -4.051 21.074 0.000) 21.459 12.680 ( 4.531 -10.220 0.000) 11.180 13.546 ( 0.963 13.342 0.000) 13.377 14.295 ( 0.610 -15.531 0.000) 15.543 14.601 ( -2.470 21.675 0.000) 21.815 15.415 ( -6.544 -16.362 0.000) 17.623 ======================= Grid point 35 (21/270) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 23.290 24.263 0.000) 33.632 2.982 ( 10.455 28.281 0.000) 30.152 3.760 ( 6.762 -22.269 0.000) 23.273 4.054 ( 2.819 -16.855 0.000) 17.089 4.656 ( 14.526 24.834 0.000) 28.770 5.368 ( 10.202 -6.297 0.000) 11.989 7.271 ( 4.687 3.493 0.000) 5.845 7.521 ( 5.454 -7.210 0.000) 9.040 8.115 ( -4.702 0.025 0.000) 4.702 8.368 ( -3.043 -11.472 0.000) 11.869 8.457 ( -7.952 7.279 0.000) 10.781 8.652 ( -5.046 -1.178 0.000) 5.182 11.846 ( -3.157 19.216 0.000) 19.473 12.716 ( -2.379 -18.309 0.000) 18.463 13.596 ( 4.562 17.032 0.000) 17.633 14.311 ( 0.796 -11.966 0.000) 11.992 14.547 ( -2.584 16.675 0.000) 16.874 15.233 ( -11.605 -15.512 0.000) 19.373 ======================= Grid point 36 (22/270) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 22.198 16.399 0.000) 27.598 3.224 ( 13.566 19.022 0.000) 23.364 3.875 ( 4.325 -14.625 0.000) 15.251 4.036 ( -3.895 -17.863 0.000) 18.283 5.019 ( 20.348 24.069 0.000) 31.517 5.559 ( 8.552 -1.804 0.000) 8.740 7.390 ( 7.464 4.313 0.000) 8.621 7.662 ( 8.788 -7.037 0.000) 11.258 8.048 ( -2.092 -0.224 0.000) 2.104 8.273 ( -10.633 7.302 0.000) 12.899 8.286 ( -5.016 -10.179 0.000) 11.348 8.523 ( -8.077 -3.146 0.000) 8.668 11.813 ( 0.158 13.076 0.000) 13.077 12.573 ( -11.504 -18.783 0.000) 22.026 13.728 ( 8.603 16.266 0.000) 18.401 14.316 ( -0.581 -5.135 0.000) 5.167 14.514 ( -0.574 7.540 0.000) 7.561 14.980 ( -13.520 -14.318 0.000) 19.693 ======================= Grid point 37 (23/270) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 13.323 9.079 0.000) 16.123 3.565 ( 16.340 8.771 0.000) 18.545 3.909 ( -1.328 -6.602 0.000) 6.734 3.919 ( -7.800 -10.175 0.000) 12.820 5.391 ( 16.357 17.065 0.000) 23.638 5.673 ( 2.338 3.870 0.000) 4.521 7.564 ( 10.197 5.791 0.000) 11.726 7.852 ( 9.301 -4.314 0.000) 10.252 8.037 ( 1.054 -1.461 0.000) 1.802 8.055 ( -10.178 4.609 0.000) 11.173 8.182 ( -5.338 -7.038 0.000) 8.833 8.338 ( -10.606 -5.246 0.000) 11.833 11.867 ( 5.642 3.915 0.000) 6.868 12.305 ( -14.640 -13.554 0.000) 19.951 13.919 ( 10.513 12.513 0.000) 16.343 14.269 ( -4.710 3.228 0.000) 5.710 14.526 ( 1.695 -2.156 0.000) 2.742 14.734 ( -10.586 -12.935 0.000) 16.715 ======================= Grid point 38 (24/270) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( -11.015 -0.825 0.000) 11.046 3.734 ( 11.015 -0.825 0.000) 11.046 3.812 ( -8.701 1.182 0.000) 8.781 3.812 ( 8.701 1.182 0.000) 8.781 5.628 ( -7.281 10.247 0.000) 12.570 5.628 ( 7.281 10.247 0.000) 12.570 7.781 ( -11.453 7.486 0.000) 13.682 7.781 ( 11.453 7.486 0.000) 13.682 8.088 ( -3.955 -3.743 0.000) 5.445 8.088 ( 3.955 -3.743 0.000) 5.445 8.117 ( -11.326 -7.150 0.000) 13.394 8.117 ( 11.326 -7.150 0.000) 13.394 12.038 ( -11.684 -5.667 0.000) 12.986 12.038 ( 11.684 -5.667 0.000) 12.986 14.124 ( -9.694 8.662 0.000) 13.000 14.124 ( 9.694 8.662 0.000) 13.000 14.585 ( -4.757 -9.092 0.000) 10.262 14.585 ( 4.757 -9.092 0.000) 10.262 ======================= Grid point 44 (25/270) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 0.000 -34.234 0.000) 34.234 2.895 ( 0.000 34.234 0.000) 34.234 3.516 ( 0.000 -29.937 0.000) 29.937 3.516 ( 0.000 29.937 0.000) 29.937 4.802 ( 0.000 -18.942 0.000) 18.942 4.802 ( 0.000 18.942 0.000) 18.942 7.282 ( 0.000 -5.900 0.000) 5.900 7.282 ( 0.000 5.900 0.000) 5.900 8.275 ( 0.000 -0.131 0.000) 0.131 8.275 ( 0.000 0.131 0.000) 0.131 8.724 ( 0.000 -2.797 0.000) 2.797 8.724 ( 0.000 2.797 0.000) 2.797 12.375 ( 0.000 -16.492 0.000) 16.492 12.375 ( 0.000 16.492 0.000) 16.492 13.891 ( 0.000 -19.549 0.000) 19.549 13.891 ( 0.000 19.549 0.000) 19.549 15.090 ( 0.000 -20.151 0.000) 20.151 15.090 ( 0.000 20.151 0.000) 20.151 ======================= Grid point 46 (26/270) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 10.011 -31.563 0.000) 33.112 2.999 ( 10.011 31.563 0.000) 33.112 3.525 ( 1.116 -29.394 0.000) 29.415 3.525 ( 1.116 29.394 0.000) 29.415 4.894 ( 8.975 -18.809 0.000) 20.840 4.894 ( 8.975 18.809 0.000) 20.840 7.304 ( 2.297 -5.943 0.000) 6.371 7.304 ( 2.297 5.943 0.000) 6.371 8.246 ( -2.776 -3.921 0.000) 4.804 8.246 ( -2.776 3.921 0.000) 4.804 8.690 ( -3.457 -3.414 0.000) 4.859 8.690 ( -3.457 3.414 0.000) 4.859 12.356 ( -2.081 -18.930 0.000) 19.044 12.356 ( -2.081 18.930 0.000) 19.044 13.913 ( 2.316 -19.256 0.000) 19.395 13.913 ( 2.316 19.256 0.000) 19.395 15.038 ( -5.162 -19.201 0.000) 19.883 15.038 ( -5.162 19.201 0.000) 19.883 ======================= Grid point 48 (27/270) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( 14.795 -24.962 0.000) 29.017 3.253 ( 14.795 24.962 0.000) 29.017 3.566 ( 3.080 -26.200 0.000) 26.381 3.566 ( 3.080 26.200 0.000) 26.381 5.127 ( 13.959 -16.920 0.000) 21.935 5.127 ( 13.959 16.920 0.000) 21.935 7.376 ( 5.152 -6.178 0.000) 8.044 7.376 ( 5.152 6.178 0.000) 8.044 8.178 ( -3.794 -6.074 0.000) 7.161 8.178 ( -3.794 6.074 0.000) 7.161 8.588 ( -6.871 -4.762 0.000) 8.360 8.588 ( -6.871 4.762 0.000) 8.360 12.287 ( -5.104 -21.350 0.000) 21.951 12.287 ( -5.104 21.350 0.000) 21.951 13.980 ( 4.371 -18.027 0.000) 18.550 13.980 ( 4.371 18.027 0.000) 18.550 14.898 ( -8.698 -16.090 0.000) 18.291 14.898 ( -8.698 16.090 0.000) 18.291 ======================= Grid point 50 (28/270) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 13.346 -16.756 0.000) 21.422 3.538 ( 13.346 16.756 0.000) 21.422 3.637 ( 3.782 -19.470 0.000) 19.834 3.637 ( 3.782 19.470 0.000) 19.834 5.411 ( 14.142 -12.601 0.000) 18.942 5.411 ( 14.142 12.601 0.000) 18.942 7.510 ( 8.514 -6.760 0.000) 10.871 7.510 ( 8.514 6.760 0.000) 10.871 8.109 ( -3.107 -5.959 0.000) 6.721 8.109 ( -3.107 5.959 0.000) 6.721 8.422 ( -9.978 -6.204 0.000) 11.749 8.422 ( -9.978 6.204 0.000) 11.749 12.163 ( -7.070 -18.915 0.000) 20.193 12.163 ( -7.070 18.915 0.000) 20.193 14.079 ( 5.504 -15.498 0.000) 16.446 14.079 ( 5.504 15.498 0.000) 16.446 14.714 ( -9.608 -10.715 0.000) 14.391 14.714 ( -9.608 10.715 0.000) 14.391 ======================= Grid point 52 (29/270) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.701 ( 2.427 -10.268 0.000) 10.551 3.701 ( 2.427 10.268 0.000) 10.551 3.749 ( 7.608 -8.299 0.000) 11.259 3.749 ( 7.608 8.299 0.000) 11.259 5.648 ( 9.132 -6.676 0.000) 11.312 5.648 ( 9.132 6.676 0.000) 11.312 7.707 ( 11.432 -7.454 0.000) 13.647 7.707 ( 11.432 7.454 0.000) 13.647 8.061 ( -1.618 -3.757 0.000) 4.091 8.061 ( -1.618 3.757 0.000) 4.091 8.202 ( -12.176 -7.292 0.000) 14.192 8.202 ( -12.176 7.292 0.000) 14.192 12.033 ( -5.375 -11.156 0.000) 12.384 12.033 ( -5.375 11.156 0.000) 12.384 14.189 ( 5.476 -11.110 0.000) 12.386 14.189 ( 5.476 11.110 0.000) 12.386 14.538 ( -7.916 -4.819 0.000) 9.267 14.538 ( -7.916 4.819 0.000) 9.267 ======================= Grid point 54 (30/270) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 7.925 ( -0.000 -0.000 0.000) 0.000 7.925 ( 0.000 -0.000 0.000) 0.000 7.977 ( -0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.440 ( 0.000 -0.000 0.000) 0.000 14.440 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 99 (31/270) ======================= q-point: ( 0.00 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 0.000 33.537) 33.537 0.931 ( 0.000 0.000 45.203) 45.203 1.289 ( 0.000 0.000 62.589) 62.589 4.734 ( 0.000 0.000 7.637) 7.637 5.176 ( 0.000 0.000 1.627) 1.627 5.330 ( 0.000 0.000 -0.698) 0.698 7.438 ( 0.000 0.000 18.975) 18.975 8.257 ( 0.000 0.000 0.175) 0.175 8.267 ( 0.000 0.000 9.700) 9.700 8.646 ( 0.000 0.000 -0.332) 0.332 8.681 ( 0.000 0.000 9.348) 9.348 11.128 ( 0.000 0.000 3.082) 3.082 11.239 ( 0.000 0.000 2.728) 2.728 11.273 ( 0.000 0.000 2.290) 2.290 13.517 ( 0.000 0.000 -1.019) 1.019 13.557 ( 0.000 0.000 -0.884) 0.884 14.665 ( 0.000 0.000 -4.117) 4.117 16.055 ( 0.000 0.000 -5.154) 5.154 ======================= Grid point 100 (32/270) ======================= q-point: ( 0.10 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 26.795 0.000 24.726) 36.460 1.103 ( 34.069 0.000 20.116) 39.564 1.956 ( 47.194 0.000 46.118) 65.986 4.709 ( -2.615 0.000 7.738) 8.168 5.201 ( 2.288 0.000 1.296) 2.630 5.279 ( -5.341 0.000 -0.865) 5.411 7.457 ( 1.954 0.000 18.812) 18.913 8.183 ( -13.851 0.000 15.976) 21.144 8.257 ( -0.041 0.000 0.205) 0.209 8.395 ( -8.711 0.000 15.862) 18.097 8.663 ( -1.782 0.000 9.282) 9.452 9.650 ( -38.687 0.000 32.075) 50.254 11.313 ( 7.317 0.000 2.586) 7.761 12.482 ( 29.351 0.000 -21.157) 36.181 13.476 ( -3.999 0.000 -0.811) 4.081 13.637 ( 8.072 0.000 -1.092) 8.145 14.613 ( -5.209 0.000 -3.850) 6.477 15.994 ( -6.138 0.000 -4.996) 7.914 ======================= Grid point 101 (33/270) ======================= q-point: ( 0.20 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 40.564 0.000 4.259) 40.787 1.833 ( 38.434 0.000 10.873) 39.943 2.901 ( 47.042 0.000 31.499) 56.614 4.625 ( -6.095 0.000 7.884) 9.965 5.117 ( -11.203 0.000 -0.251) 11.206 5.251 ( 2.294 0.000 0.526) 2.354 7.511 ( 3.327 0.000 18.484) 18.781 7.914 ( -9.737 0.000 18.828) 21.197 8.252 ( -0.530 0.000 0.039) 0.532 8.369 ( 1.178 0.000 10.753) 10.817 8.617 ( -2.646 0.000 9.331) 9.699 9.160 ( -18.731 0.000 12.732) 22.648 11.516 ( 13.093 0.000 2.181) 13.274 12.833 ( 11.408 0.000 -8.243) 14.075 13.373 ( -5.677 0.000 -0.159) 5.679 13.857 ( 13.844 0.000 -1.465) 13.921 14.468 ( -9.303 0.000 -3.113) 9.810 15.820 ( -11.361 0.000 -4.546) 12.237 ======================= Grid point 102 (34/270) ======================= q-point: ( 0.30 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 37.844 0.000 0.890) 37.854 2.577 ( 36.878 0.000 6.456) 37.439 3.752 ( 38.586 0.000 18.942) 42.985 4.461 ( -10.854 0.000 7.704) 13.310 4.843 ( -16.390 0.000 0.966) 16.419 5.268 ( -1.120 0.000 -0.018) 1.120 7.580 ( 3.509 0.000 18.194) 18.530 7.782 ( -4.584 0.000 15.573) 16.234 8.238 ( -0.719 0.000 -0.685) 0.993 8.393 ( 0.837 0.000 8.333) 8.375 8.567 ( -2.212 0.000 9.973) 10.216 8.830 ( -14.892 0.000 8.317) 17.057 11.811 ( 16.432 0.000 1.557) 16.506 12.940 ( -2.559 0.000 -3.727) 4.521 13.331 ( 4.078 0.000 0.461) 4.104 14.163 ( 16.943 0.000 -1.741) 17.033 14.258 ( -11.785 0.000 -2.087) 11.968 15.557 ( -15.159 0.000 -3.888) 15.650 ======================= Grid point 103 (35/270) ======================= q-point: ( 0.40 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 31.327 0.000 2.303) 31.412 3.268 ( 33.202 0.000 3.822) 33.422 4.191 ( -16.826 0.000 6.880) 18.178 4.279 ( -0.241 0.000 4.705) 4.711 4.592 ( 5.996 0.000 6.778) 9.049 5.184 ( -7.949 0.000 0.694) 7.979 7.640 ( 2.458 0.000 17.532) 17.703 7.716 ( -2.407 0.000 14.990) 15.182 8.239 ( 1.276 0.000 -1.256) 1.790 8.384 ( -2.517 0.000 3.663) 4.444 8.534 ( -1.121 0.000 11.132) 11.188 8.597 ( -7.843 0.000 10.156) 12.832 12.145 ( 17.295 0.000 0.763) 17.312 12.766 ( -12.907 0.000 -1.400) 12.982 13.509 ( 11.931 0.000 0.214) 11.933 14.014 ( -12.883 0.000 -1.022) 12.923 14.512 ( 18.420 0.000 -2.075) 18.536 15.234 ( -17.515 0.000 -3.168) 17.799 ======================= Grid point 104 (36/270) ======================= q-point: (-0.50 0.00 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( -16.257 0.000 2.684) 16.477 3.769 ( 16.257 0.000 2.684) 16.477 3.894 ( -20.210 0.000 4.559) 20.718 3.894 ( 20.210 0.000 4.559) 20.718 4.941 ( -17.019 0.000 3.803) 17.439 4.941 ( 17.019 0.000 3.803) 17.439 7.678 ( -1.655 0.000 16.052) 16.137 7.678 ( 1.655 0.000 16.052) 16.137 8.298 ( -4.664 0.000 -0.460) 4.686 8.298 ( 4.664 0.000 -0.460) 4.686 8.527 ( -0.668 0.000 12.125) 12.143 8.527 ( 0.668 0.000 12.125) 12.143 12.477 ( -16.138 0.000 -0.180) 16.139 12.477 ( 16.138 0.000 -0.180) 16.139 13.758 ( -13.055 0.000 -0.191) 13.056 13.758 ( 13.055 0.000 -0.191) 13.056 14.878 ( -18.592 0.000 -2.540) 18.765 14.878 ( 18.592 0.000 -2.540) 18.765 ======================= Grid point 110 (37/270) ======================= q-point: ( 0.00 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 21.945 40.742) 46.276 1.353 ( 0.000 32.935 30.328) 44.771 1.813 ( 0.000 57.782 25.533) 63.171 4.603 ( 0.000 -12.076 7.293) 14.107 5.086 ( 0.000 -8.479 1.830) 8.675 5.325 ( 0.000 -0.709 0.595) 0.925 7.393 ( 0.000 -3.217 18.749) 19.023 8.057 ( 0.000 -14.724 11.374) 18.605 8.363 ( 0.000 7.979 9.816) 12.649 8.593 ( 0.000 -4.691 -0.224) 4.696 8.694 ( 0.000 0.991 8.922) 8.977 9.371 ( 0.000 -47.656 48.991) 68.346 11.247 ( 0.000 10.926 2.836) 11.288 12.283 ( 0.000 17.989 -10.823) 20.994 13.495 ( 0.000 -3.027 -0.809) 3.133 13.701 ( 0.000 14.283 -2.226) 14.455 14.642 ( 0.000 -2.554 -3.824) 4.598 15.968 ( 0.000 -7.989 -5.510) 9.705 ======================= Grid point 111 (38/270) ======================= q-point: ( 0.10 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 14.597 25.373 22.375) 36.844 1.658 ( 22.235 30.287 23.075) 44.093 2.336 ( 40.599 37.805 28.802) 62.506 4.588 ( -1.595 -11.131 7.478) 13.504 5.063 ( -2.890 -10.504 2.111) 11.096 5.325 ( 0.277 1.697 -0.066) 1.721 7.412 ( 1.938 -3.206 18.608) 18.982 8.023 ( -3.676 -11.492 15.849) 19.919 8.321 ( -6.191 5.592 6.881) 10.814 8.411 ( -7.189 0.129 9.083) 11.584 8.692 ( -1.176 2.000 7.958) 8.289 9.260 ( -9.420 -24.884 26.486) 37.543 11.287 ( 5.218 4.569 2.864) 7.504 12.583 ( 20.754 6.951 -9.753) 23.962 13.463 ( -4.006 -2.774 -0.886) 4.952 13.748 ( 5.511 12.021 -1.853) 13.353 14.603 ( -4.028 -1.618 -3.733) 5.726 15.906 ( -6.163 -8.050 -5.310) 11.445 ======================= Grid point 112 (39/270) ======================= q-point: ( 0.20 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 34.227 13.415 5.190) 37.127 2.193 ( 30.696 21.417 15.391) 40.470 3.177 ( 42.796 25.816 22.735) 54.907 4.532 ( -4.451 -8.650 7.763) 12.446 4.950 ( -8.824 -11.977 2.461) 15.078 5.343 ( 1.307 4.872 -0.989) 5.140 7.466 ( 3.351 -3.026 18.320) 18.869 7.932 ( -4.464 -0.569 17.864) 18.422 8.219 ( -2.526 -2.134 0.393) 3.331 8.349 ( -1.999 -0.321 10.600) 10.791 8.654 ( -2.517 2.353 7.835) 8.559 9.035 ( -12.938 -10.552 12.682) 20.966 11.454 ( 11.426 -1.910 2.636) 11.881 12.927 ( 13.889 7.378 -6.088) 16.864 13.334 ( -8.115 -4.324 -0.130) 9.196 13.920 ( 11.352 7.066 -1.673) 13.476 14.487 ( -7.494 0.903 -3.117) 8.166 15.733 ( -11.258 -8.071 -4.757) 14.646 ======================= Grid point 113 (40/270) ======================= q-point: ( 0.30 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 35.360 5.640 0.375) 35.809 2.814 ( 31.643 13.647 10.956) 36.161 3.958 ( 35.384 18.851 13.814) 42.406 4.403 ( -8.706 -5.295 7.713) 12.780 4.720 ( -14.178 -10.169 3.466) 17.788 5.354 ( -0.890 6.475 -1.666) 6.745 7.539 ( 4.021 -2.255 17.912) 18.495 7.861 ( -3.141 5.362 14.999) 16.235 8.191 ( -0.783 -4.009 -0.674) 4.140 8.323 ( -0.215 -4.755 9.889) 10.975 8.592 ( -4.048 0.750 7.372) 8.444 8.780 ( -12.225 -4.283 9.884) 16.294 11.721 ( 15.411 -5.843 2.124) 16.618 13.006 ( -9.488 3.437 -3.266) 10.606 13.306 ( 9.579 -1.155 0.392) 9.656 14.148 ( 8.154 1.357 -1.754) 8.450 14.342 ( -3.765 4.973 -2.242) 6.628 15.476 ( -14.637 -7.624 -3.996) 16.980 ======================= Grid point 114 (41/270) ======================= q-point: ( 0.40 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 31.067 0.983 -0.115) 31.082 3.408 ( 28.285 7.807 9.274) 30.773 4.146 ( -15.480 -3.001 4.079) 16.288 4.326 ( -15.380 -0.343 6.364) 16.649 4.651 ( 21.998 9.073 6.844) 24.760 5.281 ( -7.153 8.161 -1.195) 10.918 7.621 ( 4.276 -0.360 16.928) 17.463 7.792 ( -4.027 5.569 14.339) 15.901 8.195 ( 1.615 -3.767 -0.902) 4.196 8.332 ( -0.257 -4.530 5.796) 7.361 8.493 ( -4.676 -3.567 8.353) 10.216 8.593 ( -6.545 -0.747 11.840) 13.549 12.047 ( 17.465 -7.651 1.365) 19.116 12.732 ( -16.233 -3.983 -0.904) 16.739 13.549 ( 13.321 3.917 -0.031) 13.885 14.050 ( -11.222 3.343 -1.069) 11.758 14.525 ( 15.432 0.899 -2.223) 15.617 15.169 ( -16.302 -6.140 -3.231) 17.717 ======================= Grid point 115 (42/270) ======================= q-point: (-0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.746 ( -23.535 -1.324 0.749) 23.584 3.746 ( 23.535 -1.324 0.749) 23.584 3.921 ( -22.683 1.758 8.803) 24.394 3.921 ( 22.683 1.758 8.803) 24.394 5.054 ( -16.315 10.079 1.553) 19.240 5.054 ( 16.315 10.079 1.553) 19.240 7.707 ( -4.473 2.609 15.328) 16.179 7.707 ( 4.473 2.609 15.328) 16.179 8.263 ( -4.981 -3.155 0.057) 5.896 8.263 ( 4.981 -3.155 0.057) 5.896 8.495 ( -3.683 -2.920 12.438) 13.297 8.495 ( 3.683 -2.920 12.438) 13.297 12.395 ( -17.751 -7.037 0.363) 19.099 12.395 ( 17.751 -7.037 0.363) 19.099 13.809 ( -12.931 4.581 -0.327) 13.722 13.809 ( 12.931 4.581 -0.327) 13.722 14.844 ( -16.636 -3.286 -2.627) 17.159 14.844 ( 16.636 -3.286 -2.627) 17.159 ======================= Grid point 121 (43/270) ======================= q-point: ( 0.00 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.000 25.476 34.196) 42.643 2.127 ( 0.000 37.839 18.017) 41.910 3.064 ( 0.000 53.768 10.647) 54.812 4.238 ( 0.000 -21.765 7.999) 23.188 4.823 ( 0.000 -15.825 2.843) 16.078 5.284 ( 0.000 -3.570 2.778) 4.524 7.343 ( 0.000 -0.858 18.162) 18.183 7.782 ( 0.000 -10.574 14.106) 17.629 8.466 ( 0.000 -6.490 0.057) 6.491 8.555 ( 0.000 9.100 9.950) 13.484 8.636 ( 0.000 -9.893 11.543) 15.202 8.873 ( 0.000 -5.530 18.205) 19.026 11.567 ( 0.000 18.405 2.277) 18.546 12.556 ( 0.000 9.864 -1.590) 9.991 13.423 ( 0.000 -2.318 -2.471) 3.388 14.100 ( 0.000 21.797 -3.402) 22.061 14.531 ( 0.000 -8.522 -3.066) 9.056 15.733 ( 0.000 -13.613 -6.368) 15.029 ======================= Grid point 122 (44/270) ======================= q-point: ( 0.10 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 11.250 28.865 21.264) 37.575 2.276 ( 14.127 30.624 20.143) 39.283 3.317 ( 23.398 46.675 12.075) 53.589 4.252 ( 1.176 -20.134 8.249) 21.790 4.775 ( -4.631 -16.085 3.172) 17.037 5.326 ( 3.827 -1.988 1.730) 4.647 7.364 ( 2.094 -0.778 18.083) 18.220 7.795 ( 1.448 -9.561 14.349) 17.303 8.324 ( -9.546 -3.789 3.736) 10.929 8.517 ( -3.787 8.149 10.128) 13.539 8.675 ( 0.616 -7.631 5.995) 9.724 8.874 ( -0.814 -7.728 16.361) 18.112 11.530 ( -1.850 16.751 2.446) 17.029 12.733 ( 14.958 5.625 -1.402) 16.042 13.387 ( -3.969 -2.001 -2.838) 5.274 14.108 ( 1.246 20.227 -3.009) 20.487 14.515 ( -1.719 -7.365 -2.965) 8.123 15.670 ( -6.339 -13.694 -6.078) 16.268 ======================= Grid point 123 (45/270) ======================= q-point: ( 0.20 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 23.651 24.780 6.499) 34.867 2.641 ( 22.060 21.307 18.641) 35.890 3.873 ( 30.947 34.488 11.437) 47.728 4.270 ( 0.194 -15.677 8.676) 17.919 4.650 ( -8.002 -15.213 3.708) 17.585 5.414 ( 4.661 1.385 -0.417) 4.880 7.425 ( 4.033 -0.364 17.903) 18.355 7.842 ( 3.374 -6.813 14.302) 16.197 8.170 ( -5.735 -2.729 1.973) 6.651 8.411 ( -6.846 5.598 10.201) 13.500 8.642 ( -3.713 -6.546 4.882) 8.971 8.817 ( -4.868 -5.859 13.449) 15.457 11.543 ( 3.542 10.533 2.626) 11.419 13.027 ( 11.307 -5.264 0.789) 12.497 13.267 ( -6.025 5.570 -4.429) 9.325 14.163 ( 4.391 14.801 -2.332) 15.614 14.465 ( -3.210 -3.792 -2.608) 5.612 15.493 ( -11.272 -13.873 -5.282) 18.639 ======================= Grid point 124 (46/270) ======================= q-point: ( 0.30 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 26.885 16.024 0.905) 31.311 3.106 ( 24.480 13.821 15.354) 32.031 4.233 ( -4.269 -9.186 7.530) 12.622 4.431 ( 4.093 -6.915 6.593) 10.394 4.505 ( 13.724 18.912 6.296) 24.200 5.488 ( 2.271 5.212 -2.520) 6.219 7.520 ( 5.614 0.694 17.446) 18.340 7.918 ( 3.485 -1.823 12.655) 13.252 8.098 ( -1.677 -3.799 0.067) 4.153 8.268 ( -6.621 0.826 10.351) 12.316 8.535 ( -6.901 -6.492 5.760) 11.088 8.699 ( -6.781 -2.431 12.311) 14.264 11.670 ( 9.245 2.449 2.588) 9.908 12.923 ( -15.448 -11.654 0.137) 19.351 13.402 ( 13.958 10.688 -2.150) 17.711 14.242 ( 0.978 6.577 -1.821) 6.894 14.418 ( 0.746 1.909 -2.228) 3.028 15.244 ( -13.646 -13.670 -4.246) 19.777 ======================= Grid point 125 (47/270) ======================= q-point: ( 0.40 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 24.504 7.415 0.147) 25.602 3.570 ( 21.986 7.438 13.243) 26.722 4.066 ( -13.139 -4.709 2.892) 14.253 4.227 ( -12.287 -7.358 10.474) 17.743 4.983 ( 21.822 19.397 2.073) 29.270 5.480 ( -3.712 9.358 -3.378) 10.619 7.642 ( 6.709 2.320 15.708) 17.237 7.913 ( -4.852 4.848 10.120) 12.225 8.103 ( 2.181 -4.203 0.261) 4.742 8.215 ( 1.267 -5.656 9.330) 10.984 8.396 ( -5.762 -5.094 8.775) 11.668 8.557 ( -7.585 -2.685 12.432) 14.809 11.902 ( 14.193 -4.500 2.218) 15.054 12.579 ( -18.607 -10.200 0.515) 21.225 13.680 ( 13.964 8.427 -0.789) 16.329 14.150 ( -8.642 5.681 -1.077) 10.397 14.533 ( 8.974 -0.479 -2.362) 9.292 14.976 ( -13.233 -11.789 -3.332) 18.033 ======================= Grid point 126 (48/270) ======================= q-point: (-0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( -20.065 0.122 0.562) 20.073 3.733 ( 20.065 0.122 0.562) 20.073 3.950 ( -16.519 0.911 12.597) 20.794 3.950 ( 16.519 0.911 12.597) 20.794 5.323 ( -12.569 13.906 -1.898) 18.841 5.323 ( 12.569 13.906 -1.898) 18.841 7.781 ( -7.368 4.075 12.295) 14.901 7.781 ( 7.368 4.075 12.295) 14.901 8.179 ( -4.913 -4.230 2.152) 6.831 8.179 ( 4.913 -4.230 2.152) 6.831 8.412 ( -6.416 -4.610 13.588) 15.718 8.412 ( 6.416 -4.610 13.588) 15.718 12.218 ( -17.690 -8.664 1.461) 19.751 12.218 ( 17.690 -8.664 1.461) 19.751 13.941 ( -12.265 7.498 -0.594) 14.388 13.941 ( 12.265 7.498 -0.594) 14.388 14.734 ( -11.329 -7.032 -2.722) 13.609 14.734 ( 11.329 -7.032 -2.722) 13.609 ======================= Grid point 132 (49/270) ======================= q-point: ( 0.00 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.000 29.885 23.545) 38.046 2.911 ( 0.000 35.297 11.854) 37.234 3.703 ( 0.000 -27.966 11.101) 30.089 3.909 ( 0.000 15.754 8.529) 17.914 4.525 ( 0.000 -2.594 3.817) 4.615 5.151 ( 0.000 -9.613 4.296) 10.530 7.365 ( 0.000 2.846 17.151) 17.386 7.594 ( 0.000 -7.487 14.160) 16.018 8.343 ( 0.000 -4.455 1.039) 4.575 8.409 ( 0.000 -8.603 7.967) 11.725 8.726 ( 0.000 6.599 9.895) 11.894 8.854 ( 0.000 0.021 10.761) 10.761 11.989 ( 0.000 20.470 1.815) 20.550 12.637 ( 0.000 -4.409 1.902) 4.802 13.499 ( 0.000 11.428 -4.002) 12.109 14.263 ( 0.000 -16.602 -2.544) 16.795 14.577 ( 0.000 22.364 -4.830) 22.879 15.409 ( 0.000 -16.664 -6.876) 18.027 ======================= Grid point 133 (50/270) ======================= q-point: ( 0.10 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 11.436 29.252 19.082) 36.751 2.955 ( 4.938 32.210 11.870) 34.681 3.755 ( 4.939 -26.146 11.020) 28.800 4.007 ( 8.043 3.994 8.322) 12.244 4.538 ( 2.736 6.910 4.001) 8.440 5.221 ( 6.553 -8.466 3.476) 11.256 7.387 ( 2.267 2.894 17.170) 17.559 7.617 ( 2.351 -7.392 14.222) 16.199 8.252 ( -6.430 -1.951 2.962) 7.343 8.430 ( -0.191 -10.589 4.940) 11.686 8.686 ( -3.911 6.686 10.301) 12.889 8.835 ( -2.114 -0.553 10.779) 10.998 11.942 ( -3.918 20.907 1.972) 21.363 12.699 ( 4.577 -9.930 1.928) 11.103 13.504 ( 0.846 13.729 -4.168) 14.373 14.271 ( 0.720 -15.504 -2.435) 15.711 14.555 ( -2.050 20.971 -4.410) 21.528 15.347 ( -6.170 -16.334 -6.508) 18.635 ======================= Grid point 134 (51/270) ======================= q-point: ( 0.20 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 17.772 26.794 9.838) 33.624 3.119 ( 11.843 23.789 13.013) 29.590 3.877 ( 6.906 -21.015 11.079) 24.740 4.115 ( 1.384 -17.729 5.916) 18.741 4.702 ( 14.378 24.588 4.702) 28.868 5.379 ( 8.747 -5.397 1.266) 10.356 7.455 ( 4.659 3.155 17.119) 18.020 7.688 ( 5.002 -7.126 13.966) 16.457 8.132 ( -5.387 -0.014 2.279) 5.849 8.383 ( -4.477 -10.506 3.039) 11.817 8.581 ( -6.411 5.884 11.702) 14.583 8.767 ( -4.824 -1.838 10.960) 12.115 11.869 ( -3.009 19.026 2.241) 19.392 12.734 ( -2.501 -18.327 1.837) 18.588 13.555 ( 4.952 17.728 -3.934) 18.823 14.289 ( 1.021 -12.004 -2.111) 12.231 14.511 ( -2.049 16.119 -3.455) 16.612 15.176 ( -10.973 -15.403 -5.514) 19.700 ======================= Grid point 135 (52/270) ======================= q-point: ( 0.30 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( 17.208 20.804 3.152) 27.182 3.406 ( 16.629 14.477 14.203) 26.227 3.993 ( 3.681 -13.014 10.606) 17.187 4.081 ( -3.518 -18.644 4.975) 19.615 5.043 ( 18.460 22.615 2.591) 29.307 5.540 ( 7.064 -1.142 -1.663) 7.346 7.569 ( 6.796 3.780 16.313) 18.072 7.810 ( 7.093 -6.616 11.873) 15.332 8.053 ( -2.356 0.038 1.682) 2.895 8.264 ( -7.203 -5.758 2.675) 9.602 8.446 ( -7.096 2.529 13.618) 15.563 8.646 ( -7.482 -3.285 11.624) 14.208 11.838 ( 0.281 12.961 2.503) 13.204 12.590 ( -11.516 -18.420 1.565) 21.780 13.699 ( 9.297 16.367 -2.713) 19.018 14.301 ( -0.244 -5.242 -1.550) 5.472 14.486 ( -0.295 7.300 -2.685) 7.784 14.935 ( -12.888 -14.138 -4.261) 19.600 ======================= Grid point 136 (53/270) ======================= q-point: ( 0.40 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 14.346 10.903 1.867) 18.116 3.727 ( 14.790 7.402 13.419) 21.298 3.936 ( -7.644 -7.773 2.967) 11.298 4.054 ( -1.364 -8.291 12.602) 15.146 5.375 ( 14.499 15.909 -1.251) 21.561 5.632 ( 1.681 3.958 -3.887) 5.797 7.714 ( 7.727 4.327 12.582) 15.386 7.930 ( 2.672 -3.730 3.552) 5.803 8.047 ( 1.796 -0.851 3.505) 4.029 8.138 ( -3.586 -2.002 9.048) 9.937 8.315 ( -5.572 -0.862 14.796) 15.834 8.480 ( -9.089 -4.483 13.312) 16.731 11.894 ( 5.629 3.992 2.616) 7.380 12.324 ( -14.381 -13.074 1.845) 19.523 13.903 ( 11.015 12.287 -1.535) 16.573 14.260 ( -4.497 3.283 -0.941) 5.646 14.500 ( 1.709 -2.300 -2.454) 3.773 14.700 ( -10.172 -12.781 -3.262) 16.658 ======================= Grid point 137 (54/270) ======================= q-point: (-0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.745 ( -11.243 0.781 2.009) 11.447 3.745 ( 11.243 0.781 2.009) 11.447 3.961 ( -8.324 0.228 13.309) 15.700 3.961 ( 8.324 0.228 13.309) 15.700 5.586 ( -6.588 9.677 -3.868) 12.329 5.586 ( 6.588 9.677 -3.868) 12.329 7.862 ( -6.967 2.993 4.584) 8.861 7.862 ( 6.967 2.993 4.584) 8.861 8.107 ( -3.342 -2.012 7.286) 8.265 8.107 ( 3.342 -2.012 7.286) 8.265 8.312 ( -6.543 -4.340 16.315) 18.106 8.312 ( 6.543 -4.340 16.315) 18.106 12.063 ( -11.463 -5.348 2.372) 12.869 12.063 ( 11.463 -5.348 2.372) 12.869 14.114 ( -9.877 8.555 -0.892) 13.097 14.114 ( 9.877 8.555 -0.892) 13.097 14.558 ( -4.532 -9.055 -2.654) 10.468 14.558 ( 4.532 -9.055 -2.654) 10.468 ======================= Grid point 143 (55/270) ======================= q-point: ( 0.00 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 0.000 -30.453 15.611) 34.222 3.064 ( 0.000 30.453 15.611) 34.222 3.611 ( 0.000 -28.434 9.293) 29.914 3.611 ( 0.000 28.434 9.293) 29.914 4.850 ( 0.000 -18.981 4.835) 19.587 4.850 ( 0.000 18.981 4.835) 19.587 7.456 ( 0.000 -5.514 15.699) 16.639 7.456 ( 0.000 5.514 15.699) 16.639 8.304 ( 0.000 -1.260 3.437) 3.661 8.304 ( 0.000 1.260 3.437) 3.661 8.827 ( 0.000 -2.923 9.953) 10.373 8.827 ( 0.000 2.923 9.953) 10.373 12.394 ( 0.000 -16.632 1.842) 16.734 12.394 ( 0.000 16.632 1.842) 16.734 13.860 ( 0.000 -20.027 -3.064) 20.260 13.860 ( 0.000 20.027 -3.064) 20.260 15.025 ( 0.000 -19.614 -6.231) 20.580 15.025 ( 0.000 19.614 -6.231) 20.580 ======================= Grid point 145 (56/270) ======================= q-point: ( 0.10 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 8.791 -28.770 14.410) 33.356 3.155 ( 8.791 28.770 14.410) 33.356 3.614 ( 0.496 -27.804 8.638) 29.119 3.614 ( 0.496 27.804 8.638) 29.119 4.939 ( 8.601 -18.496 4.560) 20.902 4.939 ( 8.601 18.496 4.560) 20.902 7.479 ( 2.365 -5.543 15.760) 16.873 7.479 ( 2.365 5.543 15.760) 16.873 8.271 ( -3.097 -4.122 3.153) 6.043 8.271 ( -3.097 4.122 3.153) 6.043 8.795 ( -3.259 -3.470 10.129) 11.192 8.795 ( -3.259 3.470 10.129) 11.192 12.375 ( -2.067 -18.981 1.842) 19.182 12.375 ( -2.067 18.981 1.842) 19.182 13.883 ( 2.396 -19.755 -2.982) 20.122 13.883 ( 2.396 19.755 -2.982) 20.122 14.978 ( -4.732 -18.647 -5.806) 20.095 14.978 ( -4.732 18.647 -5.806) 20.095 ======================= Grid point 147 (57/270) ======================= q-point: ( 0.20 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 13.421 -24.331 11.790) 30.185 3.382 ( 13.421 24.331 11.790) 30.185 3.642 ( 2.554 -23.813 7.593) 25.125 3.642 ( 2.554 23.813 7.593) 25.125 5.157 ( 12.727 -16.039 3.100) 20.709 5.157 ( 12.727 16.039 3.100) 20.709 7.551 ( 5.000 -5.673 15.646) 17.378 7.551 ( 5.000 5.673 15.646) 17.378 8.195 ( -4.300 -6.192 2.471) 7.933 8.195 ( -4.300 6.192 2.471) 7.933 8.700 ( -6.297 -4.565 10.802) 13.311 8.700 ( -6.297 4.565 10.802) 13.311 12.306 ( -5.019 -21.249 1.913) 21.917 12.306 ( -5.019 21.249 1.913) 21.917 13.953 ( 4.552 -18.518 -2.716) 19.262 13.953 ( 4.552 18.518 -2.716) 19.262 14.849 ( -8.008 -15.522 -4.698) 18.087 14.849 ( -8.008 15.522 -4.698) 18.087 ======================= Grid point 149 (58/270) ======================= q-point: ( 0.30 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( 9.669 -19.357 6.716) 22.656 3.631 ( 9.669 19.357 6.716) 22.656 3.722 ( 6.591 -13.270 10.071) 17.916 3.722 ( 6.591 13.270 10.071) 17.916 5.410 ( 12.323 -11.601 0.115) 16.925 5.410 ( 12.323 11.601 0.115) 16.925 7.673 ( 7.289 -5.907 14.111) 16.945 7.673 ( 7.289 5.907 14.111) 16.945 8.116 ( -3.427 -5.807 2.185) 7.088 8.116 ( -3.427 5.807 2.185) 7.088 8.552 ( -8.581 -5.354 12.424) 16.020 8.552 ( -8.581 5.354 12.424) 16.020 12.185 ( -6.887 -18.713 2.160) 20.057 12.185 ( -6.887 18.713 2.160) 20.057 14.056 ( 5.796 -15.897 -2.241) 17.068 14.056 ( 5.796 15.897 -2.241) 17.068 14.678 ( -8.991 -10.230 -3.403) 14.039 14.678 ( -8.991 10.230 -3.403) 14.039 ======================= Grid point 151 (59/270) ======================= q-point: ( 0.40 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 2.553 -10.843 3.085) 11.559 3.731 ( 2.553 10.843 3.085) 11.559 3.888 ( 7.365 -7.447 12.921) 16.633 3.888 ( 7.365 7.447 12.921) 16.633 5.614 ( 7.824 -6.065 -3.077) 10.367 5.614 ( 7.824 6.065 -3.077) 10.367 7.820 ( 6.762 -5.511 7.486) 11.495 7.820 ( 6.762 5.511 7.486) 11.495 8.074 ( -0.424 -3.105 5.349) 6.200 8.074 ( -0.424 3.105 5.349) 6.200 8.376 ( -8.903 -4.935 15.578) 18.609 8.376 ( -8.903 4.935 15.578) 18.609 12.060 ( -5.196 -10.992 2.524) 12.418 12.060 ( -5.196 10.992 2.524) 12.418 14.173 ( 5.891 -11.472 -1.563) 12.990 14.173 ( 5.891 11.472 -1.563) 12.990 14.510 ( -7.761 -4.672 -2.618) 9.429 14.510 ( -7.761 4.672 -2.618) 9.429 ======================= Grid point 153 (60/270) ======================= q-point: (-0.50 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.755 ( 0.000 -0.000 2.873) 2.873 3.755 ( 0.000 0.000 2.873) 2.873 3.963 ( -0.000 0.000 13.113) 13.113 3.963 ( 0.000 0.000 13.113) 13.113 5.694 ( -0.000 0.000 -4.439) 4.439 5.694 ( 0.000 0.000 -4.439) 4.439 7.893 ( 0.000 -0.000 -2.028) 2.028 7.893 ( 0.000 -0.000 -2.028) 2.028 8.094 ( -0.000 0.000 11.134) 11.134 8.094 ( 0.000 0.000 11.134) 11.134 8.257 ( 0.000 0.000 19.121) 19.121 8.257 ( -0.000 0.000 19.121) 19.121 12.005 ( 0.000 0.000 2.712) 2.712 12.005 ( 0.000 0.000 2.712) 2.712 14.254 ( -0.000 0.000 -0.753) 0.753 14.254 ( 0.000 0.000 -0.753) 0.753 14.411 ( -0.000 0.000 -2.868) 2.868 14.411 ( 0.000 -0.000 -2.868) 2.868 ======================= Grid point 198 (61/270) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 0.000 31.838) 31.838 1.809 ( 0.000 0.000 41.245) 41.245 2.507 ( 0.000 0.000 57.534) 57.534 4.950 ( 0.000 0.000 13.399) 13.399 5.220 ( 0.000 0.000 2.595) 2.595 5.312 ( 0.000 0.000 -1.002) 1.002 7.962 ( 0.000 0.000 31.500) 31.500 8.261 ( 0.000 0.000 0.262) 0.262 8.521 ( 0.000 0.000 12.357) 12.357 8.651 ( 0.000 0.000 3.348) 3.348 8.943 ( 0.000 0.000 16.037) 16.037 11.220 ( 0.000 0.000 5.981) 5.981 11.321 ( 0.000 0.000 5.252) 5.252 11.338 ( 0.000 0.000 3.919) 3.919 13.475 ( 0.000 0.000 -3.033) 3.033 13.544 ( 0.000 0.000 -0.279) 0.279 14.545 ( 0.000 0.000 -7.650) 7.650 15.904 ( 0.000 0.000 -9.668) 9.668 ======================= Grid point 199 (62/270) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 22.200 0.000 26.110) 34.272 1.732 ( 2.002 0.000 36.575) 36.630 2.935 ( 33.627 0.000 48.832) 59.290 4.926 ( -2.627 0.000 13.181) 13.441 5.237 ( 1.569 0.000 2.307) 2.790 5.264 ( -4.928 0.000 -0.683) 4.975 7.974 ( 1.313 0.000 30.610) 30.638 8.265 ( 0.182 0.000 0.899) 0.917 8.445 ( -8.847 0.000 8.559) 12.309 8.616 ( -0.895 0.000 11.842) 11.876 8.924 ( -1.864 0.000 15.993) 16.102 10.240 ( -45.156 0.000 24.263) 51.261 11.389 ( 6.863 0.000 4.938) 8.455 12.173 ( 33.899 0.000 -9.513) 35.208 13.449 ( -3.069 0.000 -1.887) 3.603 13.613 ( 7.446 0.000 -1.088) 7.525 14.500 ( -4.438 0.000 -7.163) 8.427 15.847 ( -5.657 0.000 -9.352) 10.930 ======================= Grid point 200 (63/270) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 25.328 0.000 18.065) 31.110 2.127 ( 31.109 0.000 17.477) 35.682 3.623 ( 34.188 0.000 37.621) 50.834 4.839 ( -6.536 0.000 12.335) 13.960 5.118 ( -9.925 0.000 0.456) 9.935 5.271 ( 1.530 0.000 1.807) 2.368 8.015 ( 2.903 0.000 29.236) 29.380 8.243 ( -9.648 0.000 10.872) 14.536 8.259 ( -1.013 0.000 1.536) 1.840 8.622 ( 0.596 0.000 15.242) 15.253 8.879 ( -2.389 0.000 16.029) 16.206 9.546 ( -27.071 0.000 23.552) 35.882 11.580 ( 12.267 0.000 4.072) 12.925 12.656 ( 16.892 0.000 -8.286) 18.815 13.370 ( -4.146 0.000 -0.173) 4.150 13.822 ( 13.287 0.000 -1.871) 13.418 14.377 ( -7.944 0.000 -5.818) 9.846 15.687 ( -10.482 0.000 -8.461) 13.471 ======================= Grid point 201 (64/270) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 34.046 0.000 5.492) 34.486 2.759 ( 32.404 0.000 11.181) 34.279 4.220 ( 25.085 0.000 25.182) 35.544 4.657 ( -12.201 0.000 10.463) 16.073 4.883 ( -13.068 0.000 3.463) 13.519 5.283 ( -0.742 0.000 2.107) 2.234 8.083 ( 3.422 0.000 30.086) 30.280 8.097 ( -5.223 0.000 11.599) 12.720 8.225 ( -1.915 0.000 -0.444) 1.966 8.617 ( -1.547 0.000 15.501) 15.578 8.841 ( -1.331 0.000 16.480) 16.534 9.125 ( -16.354 0.000 20.342) 26.101 11.855 ( 15.329 0.000 2.807) 15.584 12.840 ( 0.890 0.000 -5.829) 5.897 13.351 ( 4.201 0.000 1.608) 4.498 14.117 ( 16.385 0.000 -2.645) 16.597 14.197 ( -10.151 0.000 -3.916) 10.880 15.444 ( -14.064 0.000 -7.169) 15.786 ======================= Grid point 202 (65/270) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 32.288 0.000 1.680) 32.332 3.376 ( 29.893 0.000 6.662) 30.627 4.352 ( -18.875 0.000 7.735) 20.399 4.384 ( -13.800 0.000 5.196) 14.746 4.818 ( 12.068 0.000 15.392) 19.559 5.228 ( -5.099 0.000 4.398) 6.734 8.033 ( -1.422 0.000 11.594) 11.681 8.092 ( -2.663 0.000 19.848) 20.026 8.252 ( 5.302 0.000 8.587) 10.092 8.539 ( -6.554 0.000 15.234) 16.584 8.828 ( -0.045 0.000 17.321) 17.321 8.904 ( -6.335 0.000 19.192) 20.210 12.166 ( 15.976 0.000 1.253) 16.025 12.723 ( -10.692 0.000 -2.821) 11.058 13.522 ( 11.360 0.000 1.129) 11.416 13.985 ( -11.347 0.000 -1.866) 11.499 14.455 ( 17.760 0.000 -3.485) 18.099 15.143 ( -16.447 0.000 -5.756) 17.425 ======================= Grid point 203 (66/270) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( -7.812 0.000 0.724) 7.845 3.807 ( 7.812 0.000 0.724) 7.845 4.025 ( -7.037 0.000 7.572) 10.337 4.025 ( 7.037 0.000 7.572) 10.337 5.072 ( -10.932 0.000 9.494) 14.479 5.072 ( 10.932 0.000 9.494) 14.479 8.039 ( -1.897 0.000 12.994) 13.132 8.039 ( 1.897 0.000 12.994) 13.132 8.388 ( -7.930 0.000 14.462) 16.493 8.388 ( 7.930 0.000 14.462) 16.493 8.839 ( -1.372 0.000 18.225) 18.276 8.839 ( 1.372 0.000 18.225) 18.276 12.470 ( -14.573 0.000 -0.563) 14.584 12.470 ( 14.573 0.000 -0.563) 14.584 13.755 ( -11.967 0.000 -0.089) 11.967 13.755 ( 11.967 0.000 -0.089) 11.967 14.805 ( -17.727 0.000 -4.493) 18.288 14.805 ( 17.727 0.000 -4.493) 18.288 ======================= Grid point 209 (67/270) ======================= q-point: ( 0.00 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.000 39.008 23.174) 45.372 2.045 ( 0.000 20.582 35.750) 41.251 2.680 ( 0.000 19.524 51.425) 55.007 4.801 ( 0.000 -12.689 11.620) 17.205 5.140 ( 0.000 -7.532 3.277) 8.214 5.351 ( 0.000 2.401 2.375) 3.378 7.903 ( 0.000 -4.263 30.012) 30.313 8.161 ( 0.000 -8.359 2.035) 8.603 8.571 ( 0.000 -1.134 1.841) 2.162 8.657 ( 0.000 5.330 15.242) 16.147 8.954 ( 0.000 0.870 16.120) 16.143 10.185 ( 0.000 -49.376 30.646) 58.113 11.332 ( 0.000 10.273 5.498) 11.652 12.106 ( 0.000 24.887 -6.014) 25.604 13.474 ( 0.000 -3.997 -1.286) 4.199 13.645 ( 0.000 12.848 -3.204) 13.242 14.530 ( 0.000 -1.783 -7.137) 7.356 15.807 ( 0.000 -8.863 -10.232) 13.537 ======================= Grid point 210 (68/270) ======================= q-point: ( 0.10 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -2.212 20.586 32.732) 38.730 2.098 ( 15.721 33.112 21.590) 42.541 3.105 ( 32.719 17.550 43.288) 57.029 4.788 ( -1.520 -11.608 11.444) 16.371 5.126 ( -1.909 -8.856 4.167) 9.972 5.335 ( -1.279 3.809 1.321) 4.229 7.914 ( 1.141 -4.319 28.777) 29.122 8.172 ( 0.938 -7.716 3.048) 8.349 8.469 ( -8.991 -0.529 4.507) 10.072 8.653 ( -0.547 4.929 16.514) 17.243 8.937 ( -1.674 0.984 15.926) 16.044 9.876 ( -24.080 -28.011 29.638) 47.359 11.372 ( 5.060 4.375 5.436) 8.620 12.397 ( 21.857 14.780 -7.628) 27.466 13.440 ( -3.790 -3.509 -1.324) 5.332 13.701 ( 6.079 10.545 -2.650) 12.457 14.495 ( -3.478 -0.958 -6.783) 7.682 15.751 ( -5.567 -8.814 -9.845) 14.339 ======================= Grid point 211 (69/270) ======================= q-point: ( 0.20 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 20.385 12.977 18.623) 30.508 2.510 ( 25.108 25.989 16.139) 39.577 3.767 ( 32.680 14.222 33.224) 48.725 4.728 ( -5.059 -9.143 10.331) 14.694 5.041 ( -7.052 -8.463 7.272) 13.200 5.319 ( -0.216 4.464 -1.287) 4.651 7.949 ( 2.278 -4.355 26.105) 26.564 8.187 ( 0.280 -5.879 4.276) 7.275 8.290 ( -7.837 1.667 8.785) 11.890 8.630 ( -1.792 1.565 17.265) 17.428 8.895 ( -2.422 1.111 16.161) 16.380 9.428 ( -20.189 -10.309 24.484) 33.366 11.531 ( 10.809 -1.361 4.865) 11.932 12.781 ( 15.496 10.214 -7.658) 20.077 13.336 ( -5.641 -4.549 0.351) 7.255 13.876 ( 11.178 6.317 -2.540) 13.088 14.397 ( -6.278 1.243 -5.639) 8.530 15.594 ( -10.217 -8.575 -8.782) 15.970 ======================= Grid point 212 (70/270) ======================= q-point: ( 0.30 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 30.566 5.742 7.208) 31.925 3.044 ( 28.389 19.041 11.567) 36.087 4.320 ( 19.456 9.005 19.347) 28.878 4.594 ( -5.779 -4.368 10.897) 13.085 4.853 ( -11.523 -4.414 10.285) 16.063 5.314 ( -0.829 3.521 -1.886) 4.080 7.990 ( 1.355 -3.863 20.961) 21.357 8.168 ( -2.446 -3.563 4.355) 6.136 8.195 ( -1.198 2.613 12.824) 13.142 8.590 ( -2.062 -1.992 16.988) 17.228 8.842 ( -3.116 -0.066 17.799) 18.069 9.097 ( -13.281 -2.520 20.853) 24.851 11.782 ( 14.430 -4.803 3.813) 15.679 12.908 ( -4.628 4.660 -6.145) 8.994 13.332 ( 7.836 -1.650 2.219) 8.310 14.099 ( 7.971 1.120 -3.047) 8.606 14.278 ( -2.517 4.868 -3.901) 6.726 15.360 ( -13.432 -7.868 -7.325) 17.205 ======================= Grid point 213 (71/270) ======================= q-point: ( 0.40 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 30.095 0.743 2.759) 30.230 3.597 ( 27.143 13.730 8.769) 31.657 4.226 ( -17.529 -5.445 3.834) 18.751 4.520 ( -16.410 4.894 11.393) 20.568 4.862 ( 15.619 5.100 13.883) 21.510 5.267 ( -4.426 3.893 0.608) 5.926 7.998 ( 0.127 -2.450 12.562) 12.799 8.094 ( -4.409 -1.383 8.406) 9.592 8.249 ( 5.716 0.389 15.395) 16.426 8.527 ( -5.354 -1.154 16.646) 17.524 8.790 ( -0.892 -2.442 19.896) 20.065 8.911 ( -6.249 -0.032 19.112) 20.108 12.085 ( 16.117 -6.365 2.322) 17.484 12.701 ( -13.880 -2.704 -2.209) 14.312 13.557 ( 12.815 3.303 0.918) 13.265 14.019 ( -9.831 3.260 -1.931) 10.536 14.463 ( 14.902 0.566 -3.813) 15.392 15.076 ( -15.238 -6.277 -5.862) 17.491 ======================= Grid point 214 (72/270) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.772 ( -23.527 -1.508 1.419) 23.618 3.772 ( 23.527 -1.508 1.419) 23.618 4.126 ( -21.774 7.066 10.383) 25.136 4.126 ( 21.774 7.066 10.383) 25.136 5.125 ( -10.302 5.135 6.127) 13.040 5.125 ( 10.302 5.135 6.127) 13.040 8.021 ( -2.539 -1.791 9.359) 9.861 8.021 ( 2.539 -1.791 9.359) 9.861 8.388 ( -7.841 0.136 17.106) 18.818 8.388 ( 7.841 0.136 17.106) 18.818 8.820 ( -3.332 -1.606 19.336) 19.687 8.820 ( 3.332 -1.606 19.336) 19.687 12.403 ( -16.024 -5.751 0.358) 17.028 12.403 ( 16.024 -5.751 0.358) 17.028 13.802 ( -11.943 4.296 -0.264) 12.695 13.802 ( 11.943 4.296 -0.264) 12.695 14.769 ( -15.856 -3.491 -4.679) 16.896 14.769 ( 15.856 -3.491 -4.679) 16.896 ======================= Grid point 220 (73/270) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.000 20.675 32.289) 38.341 2.595 ( 0.000 29.431 26.602) 39.672 3.427 ( 0.000 43.860 26.311) 51.146 4.453 ( 0.000 -19.527 12.466) 23.167 4.905 ( 0.000 -14.239 5.066) 15.114 5.373 ( 0.000 -1.016 6.138) 6.222 7.823 ( 0.000 -2.809 26.844) 26.991 7.971 ( 0.000 -8.290 4.760) 9.560 8.482 ( 0.000 -4.865 2.469) 5.456 8.836 ( 0.000 9.043 17.346) 19.562 8.947 ( 0.000 -3.685 18.080) 18.451 9.396 ( 0.000 -24.231 30.214) 38.730 11.634 ( 0.000 17.561 4.380) 18.099 12.523 ( 0.000 15.865 -1.583) 15.944 13.357 ( 0.000 -5.544 -3.786) 6.713 14.010 ( 0.000 20.065 -5.131) 20.711 14.441 ( 0.000 -7.433 -5.812) 9.436 15.549 ( 0.000 -14.711 -11.572) 18.717 ======================= Grid point 221 (74/270) ======================= q-point: ( 0.10 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -3.047 26.688 27.668) 38.562 2.744 ( 11.354 25.998 23.231) 36.668 3.706 ( 23.815 35.634 26.388) 50.331 4.471 ( 1.487 -17.888 12.521) 21.886 4.866 ( -3.834 -15.105 5.585) 16.555 5.388 ( 1.362 0.550 4.689) 4.914 7.835 ( 1.277 -2.686 25.246) 25.420 7.993 ( 2.038 -8.016 5.508) 9.937 8.410 ( -6.353 -3.630 5.096) 8.917 8.799 ( -3.928 6.579 17.129) 18.765 8.934 ( -1.244 -2.607 18.361) 18.587 9.332 ( -5.965 -19.012 27.480) 33.944 11.603 ( -1.520 15.998 4.663) 16.733 12.698 ( 15.254 12.473 -2.048) 19.811 13.315 ( -4.562 -6.028 -3.911) 8.511 14.029 ( 2.121 18.565 -4.574) 19.238 14.428 ( -1.343 -6.297 -5.559) 8.507 15.494 ( -5.482 -14.672 -11.018) 19.149 ======================= Grid point 222 (75/270) ======================= q-point: ( 0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 12.469 24.663 16.775) 32.329 3.036 ( 18.097 21.970 19.129) 34.295 4.218 ( 25.993 25.559 21.986) 42.571 4.487 ( -0.759 -13.215 11.451) 17.503 4.771 ( -5.200 -15.606 8.577) 18.551 5.415 ( 1.091 3.485 0.830) 3.745 7.875 ( 2.756 -2.280 22.217) 22.503 8.036 ( 1.805 -7.418 4.144) 8.686 8.284 ( -5.246 -1.460 10.093) 11.468 8.686 ( -7.139 1.789 16.640) 18.195 8.898 ( -2.462 -1.212 20.156) 20.342 9.188 ( -8.059 -9.576 23.109) 26.281 11.620 ( 3.621 10.123 4.882) 11.808 13.031 ( 17.418 8.919 -2.008) 19.672 13.166 ( -10.596 -6.763 -3.487) 13.045 14.100 ( 4.999 13.740 -3.757) 15.096 14.389 ( -2.457 -2.990 -4.789) 6.157 15.341 ( -9.826 -14.522 -9.533) 19.958 ======================= Grid point 223 (76/270) ======================= q-point: ( 0.30 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 22.296 17.023 7.768) 29.108 3.434 ( 21.804 16.532 16.059) 31.727 4.378 ( -9.125 -6.978 5.752) 12.847 4.652 ( 1.822 -9.469 15.325) 18.106 4.727 ( 14.507 14.573 15.387) 25.683 5.423 ( -0.372 5.718 -3.580) 6.756 7.927 ( 1.739 -2.283 16.398) 16.647 8.049 ( -0.198 -6.142 -0.237) 6.150 8.233 ( -0.204 0.411 16.432) 16.438 8.553 ( -5.272 -1.893 17.294) 18.178 8.833 ( -4.107 -0.534 23.446) 23.809 9.032 ( -7.651 -3.215 20.522) 22.136 11.745 ( 8.920 2.638 4.676) 10.411 12.909 ( -15.203 -7.374 -2.064) 17.023 13.363 ( 16.242 7.329 -1.013) 17.848 14.190 ( 1.787 6.638 -3.313) 7.631 14.356 ( 0.980 1.919 -3.849) 4.411 15.122 ( -12.131 -13.935 -7.638) 19.992 ======================= Grid point 224 (77/270) ======================= q-point: ( 0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( 23.455 8.613 3.741) 25.265 3.867 ( 21.611 10.821 15.009) 28.450 4.127 ( -15.744 -4.262 3.170) 16.616 4.526 ( -10.214 -3.913 17.997) 21.061 5.067 ( 14.653 13.400 6.625) 20.932 5.393 ( -3.068 7.310 -4.782) 9.258 7.937 ( 0.118 -3.292 7.063) 7.794 8.024 ( -2.936 -4.402 0.016) 5.291 8.274 ( 4.837 1.652 21.313) 21.917 8.489 ( -2.607 -2.416 17.794) 18.145 8.759 ( -2.137 -0.131 25.882) 25.970 8.893 ( -6.453 -1.588 20.380) 21.437 11.965 ( 13.297 -3.613 3.868) 14.311 12.588 ( -17.032 -8.048 0.142) 18.838 13.666 ( 14.530 7.125 -0.386) 16.188 14.119 ( -7.532 5.771 -1.948) 9.687 14.466 ( 8.530 -0.544 -4.139) 9.496 14.880 ( -12.114 -11.845 -5.991) 17.971 ======================= Grid point 225 (78/270) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( -20.363 1.273 2.717) 20.583 3.771 ( 20.363 1.273 2.717) 20.583 4.255 ( -17.248 4.317 16.410) 24.195 4.255 ( 17.248 4.317 16.410) 24.195 5.288 ( -7.993 9.623 -0.863) 12.539 5.288 ( 7.993 9.623 -0.863) 12.539 7.961 ( -2.545 -3.691 2.735) 5.251 7.961 ( 2.545 -3.691 2.735) 5.251 8.397 ( -6.504 0.565 20.288) 21.313 8.397 ( 6.504 0.565 20.288) 21.313 8.784 ( -4.177 -1.428 23.010) 23.430 8.784 ( 4.177 -1.428 23.010) 23.430 12.257 ( -16.233 -7.173 2.299) 17.895 12.257 ( 16.233 -7.173 2.299) 17.895 13.926 ( -11.765 7.080 -0.708) 13.749 13.926 ( 11.765 7.080 -0.708) 13.749 14.656 ( -10.620 -7.052 -4.887) 13.653 14.656 ( 10.620 -7.052 -4.887) 13.653 ======================= Grid point 231 (79/270) ======================= q-point: ( 0.00 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 0.000 21.751 29.100) 36.331 3.235 ( 0.000 29.744 19.347) 35.483 3.997 ( 0.000 -22.741 16.790) 28.268 4.173 ( 0.000 13.251 17.658) 22.077 4.639 ( 0.000 -0.037 7.386) 7.386 5.283 ( 0.000 -8.112 8.791) 11.962 7.787 ( 0.000 -0.754 20.813) 20.827 7.837 ( 0.000 -4.195 7.502) 8.595 8.413 ( 0.000 -0.674 8.194) 8.221 8.721 ( 0.000 -14.093 22.821) 26.822 9.005 ( 0.000 6.501 17.181) 18.370 9.159 ( 0.000 -2.935 18.749) 18.977 12.043 ( 0.000 20.070 3.416) 20.358 12.696 ( 0.000 -3.116 4.026) 5.091 13.377 ( 0.000 11.297 -8.072) 13.885 14.187 ( 0.000 -16.630 -5.018) 17.371 14.447 ( 0.000 20.283 -7.648) 21.677 15.213 ( 0.000 -16.420 -12.107) 20.401 ======================= Grid point 232 (80/270) ======================= q-point: ( 0.10 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 2.196 25.957 24.623) 35.846 3.278 ( 5.334 25.438 19.002) 32.197 4.045 ( 4.778 -21.673 16.621) 27.727 4.256 ( 5.422 -2.151 15.901) 16.937 4.663 ( 4.295 11.614 8.573) 15.061 5.332 ( 4.446 -6.524 7.594) 10.955 7.802 ( 1.568 -0.612 19.175) 19.248 7.859 ( 2.062 -4.365 7.729) 9.112 8.364 ( -4.418 0.239 10.112) 11.038 8.685 ( -3.633 -13.238 20.938) 25.037 8.981 ( -2.356 5.828 18.439) 19.481 9.137 ( -2.201 -2.929 18.598) 18.955 12.000 ( -3.557 20.385 3.692) 21.019 12.759 ( 4.546 -9.440 3.978) 11.208 13.378 ( 0.682 14.680 -8.260) 16.858 14.197 ( 1.059 -15.565 -4.793) 16.320 14.436 ( -0.958 18.968 -6.967) 20.230 15.163 ( -5.100 -16.001 -11.420) 20.309 ======================= Grid point 233 (81/270) ======================= q-point: ( 0.20 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 8.009 28.108 15.179) 32.933 3.457 ( 12.434 18.412 18.773) 29.086 4.167 ( 6.657 -17.185 16.157) 24.509 4.284 ( -2.026 -20.407 10.442) 23.013 4.856 ( 13.993 23.156 10.889) 29.164 5.430 ( 4.871 -2.919 4.069) 6.986 7.848 ( 2.803 -0.595 15.992) 16.247 7.905 ( 2.224 -4.480 4.922) 7.017 8.275 ( -3.674 1.620 14.646) 15.187 8.585 ( -6.136 -10.181 18.326) 21.843 8.920 ( -3.598 3.858 21.625) 22.260 9.072 ( -4.382 -2.931 18.719) 19.447 11.934 ( -2.633 18.440 4.133) 19.080 12.786 ( -3.349 -18.466 3.063) 19.016 13.442 ( 6.625 19.403 -6.984) 21.660 14.226 ( 1.697 -12.234 -4.140) 13.027 14.418 ( -0.746 14.628 -5.507) 15.648 15.020 ( -9.198 -14.861 -9.598) 19.939 ======================= Grid point 234 (82/270) ======================= q-point: ( 0.30 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 12.895 22.068 8.120) 26.819 3.743 ( 16.032 12.977 17.849) 27.277 4.167 ( -5.975 -12.844 6.902) 15.758 4.329 ( 5.742 -16.441 17.803) 24.904 5.137 ( 13.398 18.264 7.077) 23.731 5.507 ( 2.720 1.023 -1.205) 3.146 7.885 ( 0.177 -1.586 7.962) 8.121 7.939 ( 1.205 -3.937 0.897) 4.214 8.250 ( 1.301 2.127 20.454) 20.605 8.473 ( -4.358 -5.851 18.300) 19.701 8.846 ( -3.854 2.046 25.684) 26.052 8.969 ( -5.891 -2.798 19.990) 21.027 11.910 ( 0.559 12.603 4.504) 13.395 12.629 ( -11.573 -17.005 2.103) 20.677 13.626 ( 11.323 16.000 -4.189) 20.044 14.254 ( 0.798 -5.709 -3.019) 6.507 14.412 ( 0.268 6.786 -4.476) 8.134 14.815 ( -11.146 -13.410 -7.354) 18.925 ======================= Grid point 235 (83/270) ======================= q-point: ( 0.40 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 13.330 12.151 4.916) 18.694 3.996 ( -3.998 -4.503 6.569) 8.911 4.080 ( 10.161 5.601 16.458) 20.137 4.394 ( -0.048 -7.619 20.013) 21.414 5.359 ( 8.981 12.407 0.162) 15.317 5.531 ( -0.340 4.490 -5.675) 7.245 7.872 ( -0.578 -2.206 1.202) 2.578 7.930 ( -2.178 -4.126 -1.873) 5.028 8.314 ( 4.724 2.195 22.460) 23.056 8.431 ( -0.538 -2.931 18.219) 18.461 8.778 ( -2.577 1.497 29.406) 29.557 8.852 ( -5.628 -1.995 23.185) 23.942 11.968 ( 5.509 4.180 4.568) 8.288 12.373 ( -13.534 -11.562 2.810) 18.021 13.862 ( 12.270 11.314 -2.279) 16.845 14.233 ( -3.776 3.439 -1.686) 5.378 14.431 ( 1.668 -2.773 -4.347) 5.419 14.608 ( -9.075 -12.112 -5.628) 16.147 ======================= Grid point 236 (84/270) ======================= q-point: (-0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( -11.349 1.944 4.078) 12.215 3.810 ( 11.349 1.944 4.078) 12.215 4.308 ( -8.748 1.065 19.941) 21.801 4.308 ( 8.748 1.065 19.941) 21.801 5.488 ( -4.228 7.912 -5.383) 10.462 5.488 ( 4.228 7.912 -5.383) 10.462 7.883 ( -1.840 -3.135 -1.361) 3.881 7.883 ( 1.840 -3.135 -1.361) 3.881 8.402 ( -3.245 -0.150 19.275) 19.547 8.402 ( 3.245 -0.150 19.275) 19.547 8.770 ( -2.157 0.020 28.274) 28.356 8.770 ( 2.157 0.020 28.274) 28.356 12.129 ( -10.746 -4.435 3.968) 12.284 12.129 ( 10.746 -4.435 3.968) 12.284 14.090 ( -10.277 8.112 -1.409) 13.168 14.090 ( 10.277 8.112 -1.409) 13.168 14.482 ( -3.962 -8.841 -4.658) 10.749 14.482 ( 3.962 -8.841 -4.658) 10.749 ======================= Grid point 242 (85/270) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.456 ( 0.000 -21.860 21.400) 30.591 3.456 ( 0.000 21.860 21.400) 30.591 3.877 ( 0.000 -23.941 16.360) 28.997 3.877 ( 0.000 23.941 16.360) 28.997 5.002 ( 0.000 -18.695 10.335) 21.362 5.002 ( 0.000 18.695 10.335) 21.362 7.787 ( 0.000 -0.846 12.863) 12.891 7.787 ( 0.000 0.846 12.863) 12.891 8.482 ( 0.000 -7.446 16.671) 18.259 8.482 ( 0.000 7.446 16.671) 18.259 9.107 ( 0.000 -3.174 17.124) 17.415 9.107 ( 0.000 3.174 17.124) 17.415 12.448 ( 0.000 -17.124 3.440) 17.466 12.448 ( 0.000 17.124 3.440) 17.466 13.766 ( 0.000 -21.533 -6.259) 22.424 13.766 ( 0.000 21.533 -6.259) 22.424 14.853 ( 0.000 -17.866 -10.400) 20.673 14.853 ( 0.000 17.866 -10.400) 20.673 ======================= Grid point 244 (86/270) ======================= q-point: ( 0.10 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 5.952 -21.634 19.839) 29.950 3.517 ( 5.952 21.634 19.839) 29.950 3.862 ( -0.909 -22.408 15.381) 27.194 3.862 ( -0.909 22.408 15.381) 27.194 5.083 ( 7.578 -17.352 9.813) 21.327 5.083 ( 7.578 17.352 9.813) 21.327 7.805 ( 1.766 -1.025 12.055) 12.227 7.805 ( 1.766 1.025 12.055) 12.227 8.448 ( -3.182 -7.896 17.057) 19.063 8.448 ( -3.182 7.896 17.057) 19.063 9.080 ( -2.645 -3.410 17.544) 18.067 9.080 ( -2.645 3.410 17.544) 18.067 12.429 ( -2.094 -19.159 3.378) 19.567 12.429 ( -2.094 19.159 3.378) 19.567 13.792 ( 2.712 -21.258 -6.018) 22.259 13.792 ( 2.712 21.258 -6.018) 22.259 14.817 ( -3.536 -16.874 -9.645) 19.756 14.817 ( -3.536 16.874 -9.645) 19.756 ======================= Grid point 246 (87/270) ======================= q-point: ( 0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 7.677 -21.793 14.510) 27.284 3.664 ( 7.677 21.793 14.510) 27.284 3.878 ( 3.687 -13.643 15.480) 20.961 3.878 ( 3.687 13.643 15.480) 20.961 5.260 ( 9.513 -13.563 7.322) 18.113 5.260 ( 9.513 13.563 7.322) 18.113 7.849 ( 2.409 -1.021 8.852) 9.231 7.849 ( 2.409 1.021 8.852) 9.231 8.376 ( -3.490 -7.931 18.699) 20.609 8.376 ( -3.490 7.931 18.699) 20.609 9.007 ( -4.679 -3.667 19.043) 19.949 9.007 ( -4.679 3.667 19.043) 19.949 12.361 ( -4.857 -20.874 3.371) 21.696 12.361 ( -4.857 20.874 3.371) 21.696 13.871 ( 5.194 -19.834 -5.313) 21.180 13.871 ( 5.194 19.834 -5.313) 21.180 14.720 ( -6.135 -13.798 -7.720) 16.959 14.720 ( -6.135 13.798 -7.720) 16.959 ======================= Grid point 248 (88/270) ======================= q-point: ( 0.30 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( 3.387 -20.342 7.600) 21.978 3.770 ( 3.387 20.342 7.600) 21.978 4.031 ( 10.712 -11.442 18.396) 24.167 4.031 ( 10.712 11.442 18.396) 24.167 5.430 ( 7.389 -8.721 2.325) 11.665 5.430 ( 7.389 8.721 2.325) 11.665 7.880 ( 0.339 -1.422 2.808) 3.166 7.880 ( 0.339 1.422 2.808) 3.166 8.337 ( -0.027 -5.904 21.400) 22.200 8.337 ( -0.027 5.904 21.400) 22.200 8.906 ( -5.299 -3.170 22.222) 23.064 8.906 ( -5.299 3.170 22.222) 23.064 12.246 ( -6.429 -18.005 3.707) 19.474 12.246 ( -6.429 18.005 3.707) 19.474 13.990 ( 6.702 -16.796 -4.253) 18.577 13.990 ( 6.702 16.796 -4.253) 18.577 14.585 ( -7.353 -8.884 -5.534) 12.792 14.585 ( -7.353 8.884 -5.534) 12.792 ======================= Grid point 250 (89/270) ======================= q-point: ( 0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 1.623 -10.815 5.265) 12.138 3.818 ( 1.623 10.815 5.265) 12.138 4.230 ( 8.247 -7.524 19.793) 22.724 4.230 ( 8.247 7.524 19.793) 22.724 5.541 ( 3.797 -4.093 -3.656) 6.673 5.541 ( 3.797 4.093 -3.656) 6.673 7.864 ( -1.444 -1.640 -1.528) 2.666 7.864 ( -1.444 1.640 -1.528) 2.666 8.368 ( 2.412 -2.839 20.540) 20.875 8.368 ( 2.412 2.839 20.540) 20.875 8.813 ( -3.783 -1.727 27.262) 27.577 8.813 ( -3.783 1.727 27.262) 27.577 12.130 ( -4.729 -10.444 4.293) 12.243 12.130 ( -4.729 10.444 4.293) 12.243 14.126 ( 7.040 -12.237 -3.011) 14.435 14.126 ( 7.040 12.237 -3.011) 14.435 14.439 ( -7.348 -4.433 -4.194) 9.552 14.439 ( -7.348 4.433 -4.194) 9.552 ======================= Grid point 252 (90/270) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 0.000 0.000 4.663) 4.663 3.834 ( 0.000 -0.000 4.663) 4.663 4.317 ( -0.000 0.000 20.756) 20.756 4.317 ( 0.000 0.000 20.756) 20.756 5.578 ( -0.000 0.000 -6.606) 6.606 5.578 ( 0.000 0.000 -6.606) 6.606 7.847 ( -0.000 -0.000 -2.620) 2.620 7.847 ( 0.000 0.000 -2.620) 2.620 8.398 ( -0.000 0.000 18.169) 18.169 8.398 ( 0.000 0.000 18.169) 18.169 8.773 ( 0.000 0.000 30.678) 30.678 8.773 ( 0.000 0.000 30.678) 30.678 12.081 ( -0.000 0.000 4.601) 4.601 12.081 ( 0.000 -0.000 4.601) 4.601 14.234 ( -0.000 0.000 -1.185) 1.185 14.234 ( 0.000 0.000 -1.185) 1.185 14.329 ( -0.000 0.000 -5.050) 5.050 14.329 ( 0.000 0.000 -5.050) 5.050 ======================= Grid point 297 (91/270) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.000 0.000 29.381) 29.381 2.583 ( 0.000 0.000 35.010) 35.010 3.597 ( 0.000 0.000 50.061) 50.061 5.257 ( 0.000 0.000 16.497) 16.497 5.274 ( 0.000 0.000 2.500) 2.500 5.293 ( 0.000 0.000 -0.795) 0.795 8.265 ( 0.000 0.000 0.076) 0.076 8.572 ( 0.000 0.000 -1.839) 1.839 8.653 ( 0.000 0.000 35.699) 35.699 8.946 ( 0.000 0.000 19.762) 19.762 9.303 ( 0.000 0.000 18.996) 18.996 11.365 ( 0.000 0.000 8.269) 8.269 11.424 ( 0.000 0.000 4.406) 4.406 11.448 ( 0.000 0.000 7.205) 7.205 13.402 ( 0.000 0.000 -4.071) 4.071 13.544 ( 0.000 0.000 0.264) 0.264 14.363 ( 0.000 0.000 -10.132) 10.132 15.671 ( 0.000 0.000 -13.107) 13.107 ======================= Grid point 298 (92/270) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 14.881 0.000 26.272) 30.194 2.450 ( -7.752 0.000 33.462) 34.348 3.881 ( 23.432 0.000 44.001) 49.851 5.192 ( -4.821 0.000 9.608) 10.750 5.254 ( -3.889 0.000 -0.105) 3.891 5.318 ( 2.456 0.000 8.590) 8.934 8.255 ( -0.947 0.000 0.335) 1.005 8.497 ( -6.925 0.000 -0.854) 6.977 8.674 ( 1.893 0.000 35.156) 35.207 8.965 ( 1.689 0.000 20.108) 20.178 9.284 ( -1.886 0.000 19.013) 19.106 10.656 ( -35.771 0.000 17.803) 39.956 11.508 ( 6.036 0.000 6.689) 9.009 12.059 ( 28.918 0.000 -2.708) 29.044 13.399 ( -1.003 0.000 -3.008) 3.171 13.598 ( 6.235 0.000 -0.295) 6.242 14.330 ( -3.304 0.000 -9.509) 10.067 15.623 ( -4.861 0.000 -12.638) 13.541 ======================= Grid point 299 (93/270) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 8.345 0.000 22.385) 23.889 2.510 ( 23.675 0.000 19.803) 30.866 4.356 ( 22.510 0.000 33.563) 40.413 5.058 ( -9.172 0.000 7.136) 11.621 5.144 ( -7.033 0.000 2.647) 7.515 5.363 ( 2.056 0.000 8.973) 9.205 8.234 ( -1.143 0.000 0.040) 1.144 8.340 ( -8.145 0.000 0.441) 8.157 8.716 ( 2.060 0.000 34.725) 34.786 9.002 ( 1.814 0.000 20.972) 21.050 9.240 ( -2.247 0.000 19.050) 19.182 10.036 ( -26.885 0.000 23.961) 36.013 11.677 ( 10.845 0.000 5.325) 12.082 12.514 ( 17.291 0.000 -5.740) 18.219 13.366 ( -1.419 0.000 -0.212) 1.434 13.786 ( 12.292 0.000 -1.575) 12.393 14.238 ( -5.932 0.000 -7.783) 9.785 15.485 ( -9.047 0.000 -11.329) 14.498 ======================= Grid point 300 (94/270) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 23.705 0.000 8.469) 25.172 3.011 ( 26.592 0.000 13.398) 29.776 4.658 ( 3.637 0.000 14.706) 15.149 4.819 ( -15.387 0.000 4.267) 15.968 5.040 ( 0.581 0.000 14.566) 14.577 5.392 ( 0.719 0.000 9.458) 9.485 8.202 ( -5.585 0.000 0.505) 5.608 8.207 ( -1.739 0.000 -0.936) 1.975 8.753 ( 2.000 0.000 34.677) 34.734 9.025 ( 0.222 0.000 22.604) 22.605 9.208 ( -0.777 0.000 19.262) 19.277 9.601 ( -17.583 0.000 25.609) 31.064 11.920 ( 13.530 0.000 3.446) 13.962 12.717 ( 2.881 0.000 -6.144) 6.786 13.393 ( 5.169 0.000 2.422) 5.709 14.061 ( 15.339 0.000 -2.770) 15.588 14.103 ( -7.681 0.000 -5.318) 9.343 15.274 ( -12.294 0.000 -9.459) 15.512 ======================= Grid point 301 (95/270) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 28.825 0.000 -0.096) 28.825 3.524 ( 24.586 0.000 7.553) 25.720 4.457 ( -20.949 0.000 2.182) 21.063 4.486 ( -16.058 0.000 4.955) 16.806 5.178 ( 8.904 0.000 19.209) 21.173 5.384 ( -1.705 0.000 11.003) 11.134 8.127 ( -1.972 0.000 0.097) 1.975 8.164 ( -2.507 0.000 -1.070) 2.726 8.808 ( 3.861 0.000 33.546) 33.767 8.998 ( -3.230 0.000 26.383) 26.580 9.209 ( 0.762 0.000 19.796) 19.810 9.342 ( -8.774 0.000 23.855) 25.418 12.193 ( 13.899 0.000 1.255) 13.956 12.655 ( -7.811 0.000 -3.901) 8.731 13.555 ( 10.054 0.000 1.995) 10.250 13.940 ( -8.887 0.000 -2.576) 9.253 14.377 ( 16.584 0.000 -4.051) 17.072 15.008 ( -14.708 0.000 -7.420) 16.473 ======================= Grid point 302 (96/270) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -11.957 0.000 -2.601) 12.236 3.790 ( 11.957 0.000 -2.601) 12.236 4.176 ( -6.870 0.000 7.241) 9.982 4.176 ( 6.870 0.000 7.241) 9.982 5.318 ( -5.165 0.000 14.330) 15.232 5.318 ( 5.165 0.000 14.330) 15.232 8.122 ( -1.280 0.000 -0.408) 1.344 8.122 ( 1.280 0.000 -0.408) 1.344 8.904 ( -5.565 0.000 30.957) 31.453 8.904 ( 5.565 0.000 30.957) 31.453 9.239 ( -2.659 0.000 20.916) 21.084 9.239 ( 2.659 0.000 20.916) 21.084 12.452 ( -12.189 0.000 -1.188) 12.247 12.452 ( 12.189 0.000 -1.188) 12.247 13.755 ( -9.942 0.000 -0.002) 9.942 13.755 ( 9.942 0.000 -0.002) 9.942 14.702 ( -16.273 0.000 -5.567) 17.199 14.702 ( 16.273 0.000 -5.567) 17.199 ======================= Grid point 308 (97/270) ======================= q-point: ( 0.00 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 0.000 33.388 23.042) 40.567 2.743 ( 0.000 14.396 32.552) 35.593 3.697 ( 0.000 10.400 47.871) 48.987 5.028 ( 0.000 -13.404 9.511) 16.436 5.210 ( 0.000 -6.073 3.369) 6.945 5.447 ( 0.000 6.358 7.968) 10.194 8.183 ( 0.000 -6.977 0.444) 6.991 8.427 ( 0.000 -9.252 9.910) 13.558 8.696 ( 0.000 0.805 22.293) 22.307 9.043 ( 0.000 8.001 21.143) 22.606 9.317 ( 0.000 1.210 19.160) 19.198 10.677 ( 0.000 -36.223 19.598) 41.185 11.465 ( 0.000 9.225 7.600) 11.952 12.032 ( 0.000 23.652 -1.804) 23.721 13.440 ( 0.000 -3.142 -2.080) 3.768 13.582 ( 0.000 9.720 -2.685) 10.084 14.360 ( 0.000 -0.708 -9.518) 9.544 15.563 ( 0.000 -9.909 -13.647) 16.865 ======================= Grid point 309 (98/270) ======================= q-point: ( 0.10 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 7.193 29.394 23.069) 38.051 2.611 ( -4.713 15.098 30.016) 33.928 3.979 ( 22.991 9.903 41.713) 48.648 5.001 ( -3.027 -11.648 8.423) 14.689 5.223 ( 1.464 -7.587 4.436) 8.910 5.411 ( -3.759 6.934 7.709) 11.029 8.176 ( -0.544 -6.557 0.722) 6.619 8.393 ( -3.840 -7.990 5.130) 10.242 8.687 ( -0.163 0.318 27.254) 27.256 9.044 ( -0.067 6.528 21.262) 22.241 9.302 ( -1.390 1.640 19.403) 19.521 10.401 ( -22.710 -21.596 22.603) 38.640 11.502 ( 4.580 4.171 7.306) 9.579 12.281 ( 19.378 15.839 -4.169) 25.373 13.411 ( -2.837 -2.859 -1.501) 4.298 13.647 ( 6.473 7.995 -2.508) 10.588 14.334 ( -2.536 -0.032 -8.985) 9.336 15.517 ( -4.621 -9.714 -13.099) 16.950 ======================= Grid point 310 (99/270) ======================= q-point: ( 0.20 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 6.173 11.814 22.454) 26.113 2.847 ( 19.588 24.690 17.012) 35.814 4.434 ( 20.550 7.660 30.636) 37.677 4.907 ( -5.874 -8.680 7.975) 13.170 5.262 ( 0.988 -8.957 11.546) 14.646 5.299 ( -6.355 8.457 2.032) 10.772 8.166 ( -0.575 -5.597 0.472) 5.646 8.282 ( -6.714 -5.359 1.037) 8.653 8.707 ( 2.087 -0.614 31.770) 31.845 9.027 ( -1.799 2.070 21.136) 21.313 9.275 ( -1.038 3.133 20.396) 20.662 9.949 ( -21.432 -8.124 25.847) 34.545 11.645 ( 9.689 -0.540 6.267) 11.552 12.633 ( 14.305 9.956 -6.908) 18.748 13.351 ( -2.109 -3.252 1.193) 4.056 13.821 ( 10.710 4.866 -2.817) 12.097 14.264 ( -4.451 1.827 -7.436) 8.857 15.386 ( -8.578 -9.132 -11.606) 17.079 ======================= Grid point 311 (100/270) ======================= q-point: ( 0.30 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 20.980 6.705 10.246) 24.292 3.280 ( 23.829 20.339 11.838) 33.491 4.583 ( -8.694 -4.762 6.323) 11.757 4.909 ( 5.953 6.051 17.912) 19.821 5.100 ( -8.376 4.599 12.391) 15.647 5.324 ( 2.364 -5.172 5.664) 8.026 8.146 ( -2.339 -4.401 -0.213) 4.988 8.162 ( -4.352 -4.573 -0.514) 6.334 8.755 ( 2.576 0.050 33.122) 33.222 8.988 ( -1.698 -2.515 20.923) 21.142 9.260 ( -0.698 3.949 21.997) 22.359 9.589 ( -15.062 -1.264 26.902) 30.858 11.869 ( 12.817 -3.296 4.661) 14.031 12.771 ( -1.010 4.173 -7.145) 8.335 13.393 ( 7.201 -0.628 3.641) 8.093 14.028 ( 6.969 0.501 -3.864) 7.984 14.188 ( -0.053 4.756 -4.922) 6.845 15.187 ( -11.546 -8.110 -9.579) 17.054 ======================= Grid point 312 (101/270) ======================= q-point: ( 0.40 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( 26.453 2.166 2.511) 26.660 3.751 ( 22.526 16.856 6.468) 28.868 4.301 ( -16.876 -6.104 3.468) 18.278 4.712 ( -18.737 11.899 6.317) 23.077 5.190 ( 8.555 1.171 17.803) 19.787 5.351 ( -0.012 -2.635 8.519) 8.918 8.081 ( -2.097 -4.102 -0.399) 4.624 8.113 ( -2.409 -4.482 -1.279) 5.247 8.814 ( 3.725 0.469 32.240) 32.458 8.961 ( -1.718 -3.150 23.068) 23.345 9.246 ( -0.514 3.142 23.587) 23.801 9.359 ( -8.286 1.451 25.591) 26.938 12.136 ( 13.979 -4.523 2.543) 14.911 12.643 ( -10.284 -1.423 -3.516) 10.961 13.589 ( 11.209 2.985 2.212) 11.809 13.973 ( -7.531 3.184 -2.572) 8.571 14.376 ( 13.967 -0.083 -4.637) 14.717 14.939 ( -13.559 -6.451 -7.542) 16.803 ======================= Grid point 313 (102/270) ======================= q-point: (-0.50 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( -21.741 0.430 -0.553) 21.752 3.785 ( 21.741 0.430 -0.553) 21.752 4.308 ( -20.376 10.820 7.462) 24.247 4.308 ( 20.376 10.820 7.462) 24.247 5.314 ( -3.958 -0.249 12.263) 12.889 5.314 ( 3.958 -0.249 12.263) 12.889 8.073 ( -1.145 -4.331 -0.799) 4.551 8.073 ( 1.145 -4.331 -0.799) 4.551 8.899 ( -4.375 -0.721 28.470) 28.813 8.899 ( 4.375 -0.721 28.470) 28.813 9.259 ( -2.370 1.954 23.856) 24.053 9.259 ( 2.370 1.954 23.856) 24.053 12.406 ( -13.290 -4.003 -0.150) 13.881 12.406 ( 13.290 -4.003 -0.150) 13.881 13.800 ( -9.932 4.074 -0.013) 10.735 13.800 ( 9.932 4.074 -0.013) 10.735 14.661 ( -14.588 -3.870 -5.877) 16.196 14.661 ( 14.588 -3.870 -5.877) 16.196 ======================= Grid point 319 (103/270) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 0.000 25.959 21.638) 33.795 3.149 ( 0.000 22.677 27.222) 35.430 4.097 ( 0.000 27.147 37.291) 46.126 4.707 ( 0.000 -16.623 11.918) 20.454 5.016 ( 0.000 -11.987 5.621) 13.239 5.539 ( 0.000 1.959 10.482) 10.663 8.019 ( 0.000 -7.284 0.799) 7.328 8.224 ( 0.000 -9.555 7.600) 12.208 8.708 ( 0.000 1.321 23.756) 23.793 9.231 ( 0.000 8.864 21.206) 22.984 9.340 ( 0.000 0.124 20.311) 20.311 9.985 ( 0.000 -27.502 26.976) 38.523 11.740 ( 0.000 16.143 5.984) 17.216 12.490 ( 0.000 20.374 -1.944) 20.467 13.285 ( 0.000 -9.686 -2.938) 10.122 13.901 ( 0.000 17.810 -5.546) 18.654 14.301 ( 0.000 -5.915 -7.910) 9.877 15.278 ( 0.000 -15.931 -14.893) 21.808 ======================= Grid point 320 (104/270) ======================= q-point: ( 0.10 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -8.990 22.065 27.249) 36.196 3.169 ( 7.670 27.725 19.115) 34.538 4.330 ( 19.143 22.775 33.175) 44.561 4.721 ( 0.918 -14.595 11.708) 18.733 4.989 ( -2.052 -13.879 6.293) 15.377 5.527 ( -1.472 3.467 9.336) 10.067 8.022 ( 0.352 -6.934 0.692) 6.977 8.205 ( -2.152 -9.135 5.156) 10.708 8.697 ( -0.626 1.362 26.090) 26.133 9.186 ( -4.509 5.359 20.678) 21.832 9.346 ( 0.497 2.310 21.418) 21.548 9.901 ( -7.759 -22.248 27.427) 36.158 11.715 ( -1.140 14.777 6.286) 16.099 12.644 ( 13.398 18.036 -3.626) 22.758 13.250 ( -3.456 -10.708 -1.994) 11.427 13.930 ( 3.002 16.444 -5.089) 17.473 14.294 ( -0.676 -4.866 -7.525) 8.987 15.237 ( -4.166 -15.712 -14.145) 21.548 ======================= Grid point 321 (105/270) ======================= q-point: ( 0.20 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 1.699 22.031 20.092) 29.865 3.394 ( 14.757 24.172 16.407) 32.730 4.632 ( 0.272 1.109 10.884) 10.944 4.771 ( 12.315 4.283 23.093) 26.520 4.986 ( 2.711 -15.374 11.361) 19.308 5.470 ( -4.533 6.749 5.539) 9.837 8.031 ( 0.417 -6.363 -0.144) 6.378 8.135 ( -4.698 -7.630 1.355) 9.062 8.705 ( 1.617 0.805 29.314) 29.370 9.067 ( -7.022 0.943 20.596) 21.780 9.353 ( 0.076 3.658 23.039) 23.328 9.722 ( -9.655 -11.813 28.389) 32.229 11.735 ( 3.528 9.527 6.347) 11.979 12.901 ( 8.032 14.731 -9.118) 19.096 13.184 ( 0.396 -11.707 3.737) 12.295 14.016 ( 5.425 12.380 -4.529) 14.256 14.275 ( -1.180 -1.924 -6.400) 6.786 15.119 ( -7.655 -15.104 -12.172) 20.854 ======================= Grid point 322 (106/270) ======================= q-point: ( 0.30 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 14.485 17.066 10.594) 24.765 3.732 ( 19.301 20.098 13.391) 30.916 4.473 ( -12.155 -6.020 3.975) 14.135 5.004 ( 4.773 -9.788 17.713) 20.792 5.093 ( 8.247 7.643 19.840) 22.805 5.360 ( -5.329 8.042 -1.733) 9.802 8.026 ( -1.788 -6.811 -1.403) 7.180 8.041 ( -3.802 -5.666 -0.802) 6.870 8.756 ( 3.250 0.242 30.054) 30.230 8.942 ( -4.890 -1.782 20.915) 21.553 9.344 ( -1.015 3.501 24.463) 24.733 9.542 ( -8.368 -3.034 29.715) 31.019 11.852 ( 8.234 2.951 5.799) 10.495 12.828 ( -10.818 -1.151 -5.766) 12.313 13.381 ( 15.000 1.743 2.802) 15.358 14.111 ( 2.537 6.656 -4.374) 8.359 14.266 ( 1.670 1.984 -4.923) 5.564 14.944 ( -9.902 -14.038 -9.704) 19.730 ======================= Grid point 323 (107/270) ======================= q-point: ( 0.40 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 20.264 9.871 4.315) 22.950 4.124 ( 14.153 15.979 8.199) 22.866 4.201 ( -9.322 -3.133 5.702) 11.368 4.902 ( -13.569 2.968 17.426) 22.285 5.240 ( 5.987 4.718 7.486) 10.684 5.331 ( 1.100 2.344 2.737) 3.768 7.967 ( -2.122 -6.196 -1.294) 6.676 7.996 ( -2.410 -5.988 -2.222) 6.827 8.820 ( 3.049 -0.157 28.600) 28.763 8.887 ( -1.088 -3.238 20.847) 21.125 9.320 ( -1.046 3.383 26.400) 26.636 9.400 ( -5.885 2.307 30.798) 31.440 12.051 ( 11.768 -2.310 4.498) 12.808 12.579 ( -13.821 -4.952 -1.172) 14.728 13.673 ( 14.042 5.044 1.211) 14.969 14.073 ( -5.543 5.912 -2.550) 8.496 14.370 ( 7.730 -0.664 -5.242) 9.364 14.741 ( -10.505 -11.786 -7.606) 17.525 ======================= Grid point 324 (108/270) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( -19.798 3.021 2.060) 20.133 3.824 ( 19.798 3.021 2.060) 20.133 4.557 ( -20.230 10.909 12.205) 26.023 4.557 ( 20.230 10.909 12.205) 26.023 5.324 ( -2.353 1.735 5.400) 6.141 5.324 ( 2.353 1.735 5.400) 6.141 7.957 ( -1.043 -6.113 -1.745) 6.442 7.957 ( 1.043 -6.113 -1.745) 6.442 8.868 ( -1.595 -2.146 23.915) 24.064 8.868 ( 1.595 -2.146 23.915) 24.064 9.323 ( -1.825 3.856 29.457) 29.764 9.323 ( 1.825 3.856 29.457) 29.764 12.304 ( -13.751 -5.015 2.188) 14.799 12.304 ( 13.751 -5.015 2.188) 14.799 13.915 ( -10.346 6.465 -0.327) 12.205 13.915 ( 10.346 6.465 -0.327) 12.205 14.542 ( -9.573 -7.080 -6.243) 13.444 14.542 ( 9.573 -7.080 -6.243) 13.444 ======================= Grid point 330 (109/270) ======================= q-point: ( 0.00 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 0.000 18.287 23.672) 29.912 3.657 ( 0.000 23.988 21.600) 32.280 4.338 ( 0.000 -17.525 16.096) 23.795 4.590 ( 0.000 -3.212 20.775) 21.022 4.835 ( 0.000 13.859 13.706) 19.492 5.507 ( 0.000 -5.679 13.320) 14.480 7.910 ( 0.000 -2.563 0.869) 2.706 8.037 ( 0.000 -7.627 3.945) 8.587 8.781 ( 0.000 5.975 26.863) 27.520 9.244 ( 0.000 -11.137 26.672) 28.904 9.394 ( 0.000 6.173 20.729) 21.629 9.585 ( 0.000 -8.710 22.779) 24.387 12.123 ( 0.000 19.261 4.416) 19.760 12.798 ( 0.000 -0.817 5.868) 5.925 13.179 ( 0.000 9.551 -11.261) 14.765 14.063 ( 0.000 -16.979 -7.090) 18.400 14.283 ( 0.000 17.377 -8.383) 19.293 14.937 ( 0.000 -15.333 -14.799) 21.309 ======================= Grid point 331 (110/270) ======================= q-point: ( 0.10 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -4.196 23.010 23.018) 32.816 3.673 ( 4.164 20.940 19.114) 28.656 4.381 ( 4.280 -16.793 15.726) 23.401 4.588 ( -2.473 -16.050 14.470) 21.751 4.920 ( 9.462 21.983 18.179) 30.054 5.531 ( 1.902 -3.800 12.083) 12.809 7.915 ( 0.480 -2.706 0.405) 2.778 8.027 ( -1.158 -7.183 2.705) 7.763 8.768 ( -1.049 5.639 27.783) 28.369 9.174 ( -6.246 -8.229 24.827) 26.891 9.408 ( 0.803 3.657 22.926) 23.230 9.566 ( -1.851 -7.871 23.448) 24.803 12.087 ( -3.053 19.395 4.762) 20.204 12.858 ( 3.892 -10.001 5.663) 12.135 13.178 ( 1.196 16.244 -11.224) 19.781 14.080 ( 1.625 -15.934 -6.760) 17.385 14.286 ( 0.365 16.251 -7.699) 17.986 14.903 ( -3.497 -14.812 -13.900) 20.612 ======================= Grid point 332 (111/270) ======================= q-point: ( 0.20 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( -0.323 25.823 16.871) 30.848 3.828 ( 10.992 16.840 17.362) 26.568 4.447 ( -3.543 -12.047 10.346) 16.270 4.541 ( 4.301 -21.404 14.486) 26.201 5.148 ( 11.801 18.154 17.722) 27.980 5.554 ( -0.175 0.364 8.466) 8.476 7.922 ( -0.011 -3.351 -0.957) 3.485 7.988 ( -2.800 -5.806 0.150) 6.448 8.756 ( 0.194 4.240 28.848) 29.158 9.030 ( -7.680 -5.013 23.312) 25.051 9.414 ( -0.194 2.037 24.994) 25.078 9.520 ( -2.577 -5.990 26.141) 26.942 12.030 ( -2.191 17.401 5.254) 18.308 12.841 ( -6.100 -17.583 1.636) 18.683 13.296 ( 10.770 19.847 -6.492) 23.496 14.124 ( 2.773 -12.802 -5.840) 14.342 14.297 ( 0.728 12.779 -6.276) 14.255 14.802 ( -6.603 -13.433 -11.557) 18.910 ======================= Grid point 333 (112/270) ======================= q-point: ( 0.30 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.490 ( 7.134 21.507 9.891) 24.724 4.084 ( 14.053 11.746 15.203) 23.803 4.309 ( -7.535 -8.853 6.834) 13.485 4.697 ( 8.723 -15.491 17.154) 24.705 5.336 ( 6.681 11.723 12.475) 18.377 5.512 ( -4.070 4.653 2.363) 6.618 7.900 ( -2.512 -4.251 -1.934) 5.303 7.930 ( -2.676 -4.557 -2.306) 5.766 8.776 ( 1.616 1.865 27.324) 27.435 8.899 ( -5.153 -2.587 22.588) 23.313 9.400 ( -1.150 1.782 25.990) 26.077 9.475 ( -1.873 -2.830 31.114) 31.299 12.014 ( 0.778 11.961 5.537) 13.203 12.661 ( -11.220 -13.521 0.734) 17.585 13.547 ( 13.827 13.439 -3.216) 19.549 14.180 ( 2.534 -6.868 -4.317) 8.499 14.312 ( 0.675 6.545 -5.360) 8.487 14.650 ( -8.641 -11.732 -8.711) 16.977 ======================= Grid point 334 (113/270) ======================= q-point: ( 0.40 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 10.910 12.841 5.357) 17.681 4.100 ( -9.486 -5.747 4.489) 11.965 4.429 ( 16.179 11.337 15.774) 25.281 4.822 ( 2.045 -7.897 21.319) 22.827 5.394 ( -1.128 7.453 0.769) 7.577 5.430 ( -2.265 5.294 -0.829) 5.818 7.849 ( -1.905 -4.142 -2.294) 5.104 7.877 ( -2.688 -4.771 -3.172) 6.328 8.806 ( 1.130 -0.752 23.334) 23.373 8.835 ( -1.589 -1.833 21.912) 22.046 9.385 ( 0.034 2.790 29.492) 29.624 9.441 ( -1.816 1.043 33.839) 33.904 12.070 ( 5.119 4.382 5.360) 8.610 12.429 ( -11.888 -8.943 2.446) 15.076 13.819 ( 13.471 9.015 -1.888) 16.319 14.194 ( -2.381 3.682 -2.130) 4.875 14.329 ( 1.460 -3.785 -5.677) 6.978 14.483 ( -7.602 -10.304 -6.550) 14.383 ======================= Grid point 335 (114/270) ======================= q-point: (-0.50 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.894 ( -11.119 3.036 3.824) 12.144 3.894 ( 11.119 3.036 3.824) 12.144 4.721 ( -11.772 4.267 19.674) 23.321 4.721 ( 11.772 4.267 19.674) 23.321 5.392 ( -1.909 3.987 -3.294) 5.513 5.392 ( 1.909 3.987 -3.294) 5.513 7.838 ( -0.890 -4.483 -2.731) 5.325 7.838 ( 0.890 -4.483 -2.731) 5.325 8.820 ( -0.425 -2.003 21.266) 21.364 8.820 ( 0.425 -2.003 21.266) 21.364 9.404 ( -1.726 3.269 33.125) 33.330 9.404 ( 1.726 3.269 33.125) 33.330 12.215 ( -9.454 -3.068 4.322) 10.839 12.215 ( 9.454 -3.068 4.322) 10.839 14.060 ( -10.521 6.986 -1.512) 12.720 14.060 ( 10.521 6.986 -1.512) 12.720 14.376 ( -3.478 -8.101 -5.661) 10.477 14.376 ( 3.478 -8.101 -5.661) 10.477 ======================= Grid point 341 (115/270) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 0.000 -14.181 20.316) 24.776 3.882 ( 0.000 14.181 20.316) 24.776 4.230 ( 0.000 -18.412 17.288) 25.256 4.230 ( 0.000 18.412 17.288) 25.256 5.271 ( 0.000 -16.969 16.320) 23.543 5.271 ( 0.000 16.969 16.320) 23.543 7.918 ( 0.000 -3.263 1.652) 3.657 7.918 ( 0.000 3.263 1.652) 3.657 8.971 ( 0.000 -11.797 28.816) 31.137 8.971 ( 0.000 11.797 28.816) 31.137 9.492 ( 0.000 -3.306 20.321) 20.588 9.492 ( 0.000 3.306 20.321) 20.588 12.527 ( 0.000 -17.953 4.110) 18.418 12.527 ( 0.000 17.953 4.110) 18.418 13.611 ( 0.000 -23.855 -8.742) 25.407 13.611 ( 0.000 23.855 -8.742) 25.407 14.624 ( 0.000 -14.900 -11.833) 19.027 14.624 ( 0.000 14.900 -11.833) 19.027 ======================= Grid point 343 (116/270) ======================= q-point: ( 0.10 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( 2.697 -13.550 19.027) 23.514 3.914 ( 2.697 13.550 19.027) 23.514 4.195 ( -2.251 -14.675 16.348) 22.084 4.195 ( -2.251 14.675 16.348) 22.084 5.339 ( 5.909 -14.760 15.368) 22.112 5.339 ( 5.909 14.760 15.368) 22.112 7.917 ( -0.185 -2.858 0.902) 3.002 7.917 ( -0.185 2.858 0.902) 3.002 8.943 ( -2.596 -10.662 28.630) 30.661 8.943 ( -2.596 10.662 28.630) 30.661 9.479 ( -1.217 -2.887 21.335) 21.564 9.479 ( -1.217 2.887 21.335) 21.564 12.505 ( -2.289 -19.322 3.928) 19.850 12.505 ( -2.289 19.322 3.928) 19.850 13.645 ( 3.457 -23.332 -8.227) 24.980 13.645 ( 3.457 23.332 -8.227) 24.980 14.605 ( -1.876 -13.963 -10.942) 17.839 14.605 ( -1.876 13.963 -10.942) 17.839 ======================= Grid point 345 (117/270) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 0.010 -19.781 13.704) 24.065 3.948 ( 0.010 19.781 13.704) 24.065 4.217 ( 5.765 -8.075 16.523) 19.273 4.217 ( 5.765 8.075 16.523) 19.273 5.458 ( 5.216 -9.824 12.184) 16.497 5.458 ( 5.216 9.824 12.184) 16.497 7.904 ( -1.243 -1.734 -0.944) 2.333 7.904 ( -1.243 1.734 -0.944) 2.333 8.883 ( -3.047 -7.379 27.589) 28.721 8.883 ( -3.047 7.379 27.589) 28.721 9.450 ( -1.463 -1.779 24.371) 24.480 9.450 ( -1.463 1.779 24.371) 24.480 12.435 ( -4.771 -19.886 3.757) 20.792 12.435 ( -4.771 19.886 3.757) 20.792 13.744 ( 6.455 -21.136 -6.932) 23.162 13.744 ( 6.455 21.136 -6.932) 23.162 14.551 ( -3.612 -11.208 -8.715) 14.650 14.551 ( -3.612 11.208 -8.715) 14.650 ======================= Grid point 347 (118/270) ======================= q-point: ( 0.30 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.935 ( -0.636 -19.007 8.341) 20.767 3.935 ( -0.636 19.007 8.341) 20.767 4.401 ( 11.828 -12.184 17.108) 24.105 4.401 ( 11.828 12.184 17.108) 24.105 5.518 ( 0.673 -4.430 6.654) 8.022 5.518 ( 0.673 4.430 6.654) 8.022 7.865 ( -2.628 -1.040 -2.599) 3.840 7.865 ( -2.628 1.040 -2.599) 3.840 8.833 ( -1.962 -3.256 24.916) 25.204 8.833 ( -1.962 3.256 24.916) 25.204 9.431 ( -0.393 -1.503 28.879) 28.920 9.431 ( -0.393 1.503 28.879) 28.920 12.327 ( -5.843 -16.500 4.110) 17.980 12.327 ( -5.843 16.500 4.110) 17.980 13.890 ( 8.111 -17.206 -5.404) 19.775 13.890 ( 8.111 17.206 -5.404) 19.775 14.465 ( -5.144 -7.146 -6.194) 10.765 14.465 ( -5.144 7.146 -6.194) 10.765 ======================= Grid point 349 (119/270) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( -0.000 -10.435 5.392) 11.746 3.930 ( -0.000 10.435 5.392) 11.746 4.637 ( 10.859 -9.021 19.200) 23.831 4.637 ( 10.859 9.021 19.200) 23.831 5.488 ( -3.094 -0.768 -0.888) 3.309 5.488 ( -3.094 0.768 -0.888) 3.309 7.813 ( -2.344 -0.871 -3.160) 4.030 7.813 ( -2.344 0.871 -3.160) 4.030 8.805 ( -0.930 -0.785 21.814) 21.848 8.805 ( -0.930 0.785 21.814) 21.848 9.434 ( 0.558 -1.589 32.822) 32.865 9.434 ( 0.558 1.589 32.822) 32.865 12.224 ( -4.114 -9.398 4.801) 11.327 12.224 ( -4.114 9.398 4.801) 11.327 14.053 ( 8.335 -12.352 -4.156) 15.469 14.053 ( 8.335 12.352 -4.156) 15.469 14.350 ( -6.495 -4.275 -4.384) 8.926 14.350 ( -6.495 4.275 -4.384) 8.926 ======================= Grid point 351 (120/270) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.930 ( 0.000 0.000 4.458) 4.458 3.930 ( 0.000 -0.000 4.458) 4.458 4.760 ( -0.000 0.000 22.270) 22.270 4.760 ( 0.000 0.000 22.270) 22.270 5.444 ( 0.000 -0.000 -6.271) 6.271 5.444 ( 0.000 -0.000 -6.271) 6.271 7.787 ( 0.000 0.000 -3.166) 3.166 7.787 ( 0.000 0.000 -3.166) 3.166 8.796 ( -0.000 0.000 20.545) 20.545 8.796 ( 0.000 0.000 20.545) 20.545 9.442 ( 0.000 0.000 34.271) 34.271 9.442 ( 0.000 0.000 34.271) 34.271 12.182 ( 0.000 0.000 5.154) 5.154 12.182 ( 0.000 0.000 5.154) 5.154 14.209 ( -0.000 -0.000 -1.151) 1.151 14.209 ( 0.000 -0.000 -1.151) 1.151 14.213 ( -0.000 -0.000 -6.266) 6.266 14.213 ( 0.000 0.000 -6.266) 6.266 ======================= Grid point 396 (121/270) ======================= q-point: ( 0.00 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.000 0.000 26.404) 26.404 3.212 ( 0.000 0.000 27.115) 27.115 4.521 ( 0.000 0.000 41.268) 41.268 5.283 ( 0.000 0.000 -0.079) 0.079 5.316 ( 0.000 0.000 1.552) 1.552 5.600 ( 0.000 0.000 17.033) 17.033 8.263 ( 0.000 0.000 -0.372) 0.372 8.518 ( 0.000 0.000 -3.393) 3.393 9.356 ( 0.000 0.000 20.200) 20.200 9.361 ( 0.000 0.000 33.551) 33.551 9.688 ( 0.000 0.000 18.544) 18.544 11.507 ( 0.000 0.000 3.571) 3.571 11.546 ( 0.000 0.000 9.347) 9.347 11.605 ( 0.000 0.000 8.122) 8.122 13.318 ( 0.000 0.000 -4.053) 4.053 13.556 ( 0.000 0.000 0.974) 0.974 14.144 ( 0.000 0.000 -11.325) 11.325 15.382 ( 0.000 0.000 -15.317) 15.317 ======================= Grid point 397 (122/270) ======================= q-point: ( 0.10 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 10.130 0.000 24.356) 26.378 3.062 ( -11.959 0.000 26.725) 29.279 4.685 ( 13.314 0.000 34.656) 37.125 5.268 ( -4.976 0.000 1.086) 5.094 5.271 ( -0.904 0.000 2.461) 2.622 5.608 ( 0.773 0.000 16.462) 16.480 8.252 ( -1.033 0.000 -0.462) 1.132 8.454 ( -5.991 0.000 -3.070) 6.732 9.376 ( 1.395 0.000 33.258) 33.287 9.376 ( 1.875 0.000 20.020) 20.108 9.670 ( -1.735 0.000 18.777) 18.857 10.982 ( -26.843 0.000 14.696) 30.602 11.653 ( 4.824 0.000 7.419) 8.849 12.034 ( 23.253 0.000 -0.283) 23.255 13.333 ( 1.151 0.000 -3.324) 3.518 13.603 ( 5.220 0.000 0.827) 5.286 14.124 ( -1.989 0.000 -10.657) 10.841 15.345 ( -3.769 0.000 -14.707) 15.182 ======================= Grid point 398 (123/270) ======================= q-point: ( 0.20 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -4.214 0.000 20.346) 20.777 2.909 ( 17.234 0.000 19.343) 25.907 4.888 ( 3.903 0.000 15.732) 16.209 5.112 ( -11.048 0.000 -0.354) 11.054 5.291 ( 4.695 0.000 14.995) 15.713 5.627 ( 1.065 0.000 15.271) 15.308 8.224 ( -1.753 0.000 -0.810) 1.931 8.311 ( -7.769 0.000 -2.631) 8.202 9.410 ( 1.869 0.000 32.813) 32.866 9.421 ( 2.417 0.000 19.798) 19.945 9.628 ( -2.186 0.000 19.115) 19.239 10.499 ( -21.932 0.000 21.677) 30.836 11.789 ( 8.859 0.000 5.613) 10.487 12.414 ( 14.806 0.000 -4.516) 15.479 13.360 ( 2.088 0.000 -0.456) 2.137 13.765 ( 10.844 0.000 -0.395) 10.851 14.069 ( -3.605 0.000 -8.821) 9.530 15.237 ( -7.112 0.000 -13.028) 14.843 ======================= Grid point 399 (124/270) ======================= q-point: ( 0.30 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 11.180 0.000 8.692) 14.161 3.284 ( 20.190 0.000 13.156) 24.098 4.820 ( -8.985 0.000 4.253) 9.941 4.832 ( -17.367 0.000 -2.076) 17.491 5.436 ( 7.908 0.000 21.262) 22.684 5.644 ( 0.594 0.000 14.269) 14.281 8.175 ( -5.666 0.000 -2.432) 6.166 8.184 ( -2.397 0.000 -1.369) 2.761 9.444 ( 1.605 0.000 32.648) 32.687 9.465 ( 2.011 0.000 20.256) 20.355 9.598 ( -0.539 0.000 19.163) 19.171 10.126 ( -16.123 0.000 25.719) 30.355 11.989 ( 11.156 0.000 3.238) 11.616 12.594 ( 3.377 0.000 -6.146) 7.013 13.441 ( 6.412 0.000 2.095) 6.746 13.985 ( -4.811 0.000 -6.234) 7.875 14.011 ( 13.894 0.000 -1.956) 14.031 15.069 ( -9.935 0.000 -10.667) 14.577 ======================= Grid point 400 (125/270) ======================= q-point: ( 0.40 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 21.693 0.000 -1.602) 21.752 3.661 ( 16.266 0.000 5.472) 17.162 4.458 ( -18.854 0.000 -1.184) 18.891 4.585 ( -14.231 0.000 4.701) 14.987 5.560 ( 4.621 0.000 18.023) 18.606 5.646 ( -0.453 0.000 14.052) 14.059 8.099 ( -1.983 0.000 -2.216) 2.974 8.133 ( -2.570 0.000 -1.808) 3.142 9.478 ( 1.919 0.000 31.276) 31.335 9.497 ( 1.215 0.000 22.017) 22.051 9.611 ( 1.872 0.000 20.147) 20.234 9.859 ( -11.191 0.000 26.741) 28.989 12.213 ( 11.305 0.000 0.624) 11.322 12.568 ( -5.149 0.000 -4.701) 6.972 13.594 ( 8.376 0.000 1.596) 8.526 13.880 ( -5.944 0.000 -3.367) 6.832 14.297 ( 14.950 0.000 -3.635) 15.386 14.849 ( -12.365 0.000 -8.084) 14.773 ======================= Grid point 401 (126/270) ======================= q-point: (-0.50 0.00 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( -16.067 0.000 -5.923) 17.124 3.702 ( 16.067 0.000 -5.923) 17.124 4.318 ( -9.016 0.000 6.823) 11.307 4.318 ( 9.016 0.000 6.823) 11.307 5.623 ( -2.011 0.000 15.187) 15.319 5.623 ( 2.011 0.000 15.187) 15.319 8.093 ( -1.173 0.000 -2.013) 2.330 8.093 ( 1.173 0.000 -2.013) 2.330 9.506 ( -0.525 0.000 26.132) 26.137 9.506 ( 0.525 0.000 26.132) 26.137 9.687 ( -6.285 0.000 24.326) 25.124 9.687 ( 6.285 0.000 24.326) 25.124 12.420 ( -9.427 0.000 -2.091) 9.656 12.420 ( 9.427 0.000 -2.091) 9.656 13.750 ( -7.334 0.000 -0.615) 7.360 13.750 ( 7.334 0.000 -0.615) 7.360 14.587 ( -14.258 0.000 -5.664) 15.342 14.587 ( 14.258 0.000 -5.664) 15.342 ======================= Grid point 407 (127/270) ======================= q-point: ( 0.00 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 0.000 26.771 22.231) 34.798 3.338 ( 0.000 11.403 26.038) 28.426 4.587 ( 0.000 6.770 39.925) 40.495 5.162 ( 0.000 -9.666 4.274) 10.569 5.270 ( 0.000 -4.346 2.586) 5.058 5.681 ( 0.000 5.770 14.237) 15.362 8.184 ( 0.000 -6.764 -0.308) 6.771 8.438 ( 0.000 -7.018 -2.719) 7.526 9.284 ( 0.000 -1.980 28.236) 28.306 9.499 ( 0.000 7.887 24.399) 25.642 9.705 ( 0.000 1.549 18.665) 18.729 11.015 ( 0.000 -26.308 14.297) 29.942 11.631 ( 0.000 7.907 8.590) 11.675 12.015 ( 0.000 19.771 -0.227) 19.772 13.388 ( 0.000 1.505 -3.042) 3.394 13.547 ( 0.000 3.532 -0.631) 3.588 14.153 ( 0.000 0.450 -10.725) 10.734 15.265 ( 0.000 -10.704 -15.622) 18.938 ======================= Grid point 408 (128/270) ======================= q-point: ( 0.10 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 7.839 25.359 20.989) 33.839 3.185 ( -11.858 11.177 25.689) 30.421 4.742 ( 11.867 5.615 32.040) 34.625 5.140 ( -1.726 -7.286 7.440) 10.556 5.276 ( 0.687 -4.162 1.325) 4.422 5.656 ( -2.425 4.469 14.930) 15.772 8.177 ( -0.695 -6.455 -0.446) 6.508 8.384 ( -5.219 -6.325 -2.721) 8.640 9.294 ( 1.094 -2.505 27.768) 27.903 9.501 ( -0.082 6.348 24.474) 25.284 9.695 ( -0.735 2.459 19.061) 19.233 10.806 ( -17.442 -15.553 17.805) 29.380 11.659 ( 3.663 4.029 8.050) 9.719 12.214 ( 15.644 13.474 -2.785) 20.834 13.379 ( -0.656 0.386 -1.633) 1.801 13.608 ( 5.998 3.738 -1.187) 7.166 14.140 ( -1.358 0.998 -10.114) 10.254 15.232 ( -3.391 -10.372 -14.951) 18.510 ======================= Grid point 409 (129/270) ======================= q-point: ( 0.20 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -4.456 10.786 20.548) 23.631 3.189 ( 14.192 21.651 16.639) 30.774 4.851 ( -3.973 -3.013 8.482) 9.839 5.147 ( 1.361 2.770 11.808) 12.205 5.313 ( 4.481 0.080 9.374) 10.390 5.598 ( -2.811 -0.864 16.674) 16.932 8.157 ( -1.362 -5.743 -0.963) 5.980 8.256 ( -7.134 -5.173 -2.637) 9.198 9.326 ( 2.018 -3.637 25.857) 26.189 9.484 ( -1.765 2.196 25.494) 25.649 9.687 ( 0.043 4.949 19.845) 20.453 10.448 ( -17.507 -5.037 23.315) 29.588 11.777 ( 8.029 0.420 6.534) 10.360 12.500 ( 11.625 7.484 -6.361) 15.219 13.382 ( 1.664 -0.175 1.671) 2.365 13.768 ( 9.749 2.299 -2.275) 10.271 14.103 ( -2.219 2.562 -8.362) 9.023 15.134 ( -6.468 -9.477 -13.138) 17.443 ======================= Grid point 410 (130/270) ======================= q-point: ( 0.30 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.016 ( 9.613 7.811 9.936) 15.879 3.518 ( 18.273 19.158 11.432) 28.838 4.657 ( -13.900 -6.412 1.847) 15.418 5.056 ( -10.344 11.348 -0.316) 15.358 5.450 ( 6.998 1.440 20.619) 21.822 5.573 ( 0.402 -6.228 15.676) 16.873 8.114 ( -3.859 -4.967 -2.538) 6.783 8.136 ( -3.814 -4.761 -1.623) 6.312 9.367 ( 2.001 -5.087 21.923) 22.595 9.449 ( -1.196 -0.764 28.625) 28.661 9.694 ( 0.544 6.204 20.739) 21.653 10.144 ( -13.402 1.277 27.090) 30.251 11.963 ( 10.650 -1.601 4.425) 11.643 12.626 ( 0.968 2.824 -7.166) 7.764 13.470 ( 7.300 1.550 3.751) 8.353 13.946 ( 4.928 -0.365 -4.221) 6.498 14.085 ( 3.604 4.190 -5.121) 7.534 14.980 ( -9.128 -8.209 -10.693) 16.280 ======================= Grid point 411 (131/270) ======================= q-point: ( 0.40 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 20.161 4.680 0.548) 20.705 3.854 ( 12.493 15.732 3.452) 20.384 4.363 ( -12.533 -3.961 2.826) 13.444 4.781 ( -16.724 13.287 1.651) 21.424 5.549 ( 3.350 -1.690 17.102) 17.508 5.594 ( 0.959 -4.097 14.244) 14.852 8.046 ( -1.973 -4.669 -2.504) 5.654 8.080 ( -2.585 -4.779 -1.837) 5.736 9.401 ( 1.646 -5.861 20.256) 21.151 9.443 ( 0.150 -2.818 28.467) 28.606 9.713 ( 1.734 6.532 23.197) 24.162 9.921 ( -9.339 5.044 28.496) 30.408 12.182 ( 11.297 -2.487 1.875) 11.718 12.562 ( -6.573 -0.552 -4.464) 7.965 13.638 ( 8.927 3.625 2.390) 9.927 13.915 ( -4.714 3.260 -3.146) 6.539 14.281 ( 12.810 -1.260 -4.614) 13.674 14.778 ( -11.380 -6.620 -8.205) 15.513 ======================= Grid point 412 (132/270) ======================= q-point: (-0.50 0.12 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( -19.887 3.463 -4.031) 20.585 3.739 ( 19.887 3.463 -4.031) 20.585 4.439 ( -16.357 10.750 5.859) 20.431 4.439 ( 16.357 10.750 5.859) 20.431 5.593 ( -1.151 -2.796 14.522) 14.833 5.593 ( 1.151 -2.796 14.522) 14.833 8.040 ( -1.163 -4.738 -2.142) 5.328 8.040 ( 1.163 -4.738 -2.142) 5.328 9.433 ( -1.318 -5.042 23.465) 24.037 9.433 ( 1.318 -5.042 23.465) 24.037 9.778 ( -5.192 6.666 27.033) 28.323 9.778 ( 5.192 6.666 27.033) 28.323 12.394 ( -10.042 -2.192 -1.119) 10.339 12.394 ( 10.042 -2.192 -1.119) 10.339 13.798 ( -7.130 4.273 -0.279) 8.317 13.798 ( 7.130 4.273 -0.279) 8.317 14.538 ( -12.926 -4.481 -6.120) 14.987 14.538 ( 12.926 -4.481 -6.120) 14.987 ======================= Grid point 418 (133/270) ======================= q-point: ( 0.00 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 0.000 26.866 18.153) 32.424 3.664 ( 0.000 18.418 23.274) 29.680 4.838 ( 0.000 17.189 34.335) 38.397 4.917 ( 0.000 -12.971 8.769) 15.657 5.127 ( 0.000 -9.280 5.606) 10.842 5.791 ( 0.000 3.829 14.014) 14.528 8.020 ( 0.000 -7.570 -0.537) 7.589 8.249 ( 0.000 -10.062 -1.975) 10.254 9.277 ( 0.000 1.538 28.472) 28.514 9.674 ( 0.000 8.046 22.305) 23.712 9.746 ( 0.000 1.954 19.389) 19.487 10.472 ( 0.000 -23.923 21.237) 31.990 11.870 ( 0.000 14.184 6.620) 15.653 12.433 ( 0.000 20.341 -3.894) 20.710 13.253 ( 0.000 -11.145 0.007) 11.145 13.790 ( 0.000 15.273 -5.340) 16.180 14.128 ( 0.000 -4.195 -9.069) 9.993 14.960 ( 0.000 -16.690 -16.265) 23.305 ======================= Grid point 419 (134/270) ======================= q-point: ( 0.10 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( -8.123 18.365 22.262) 29.981 3.536 ( 1.980 27.163 18.087) 32.694 4.861 ( -0.939 -2.325 11.369) 11.642 5.049 ( 12.937 6.613 27.445) 31.054 5.104 ( -1.252 -11.345 5.122) 12.510 5.764 ( -2.953 4.647 13.654) 14.722 8.019 ( -0.109 -7.397 -0.761) 7.437 8.209 ( -3.870 -9.368 -2.309) 10.395 9.276 ( 0.009 1.009 27.774) 27.793 9.620 ( -4.625 4.162 22.088) 22.948 9.773 ( 1.790 4.533 20.368) 20.943 10.412 ( -5.484 -19.402 22.958) 30.555 11.850 ( -0.855 13.149 6.884) 14.867 12.545 ( 9.426 17.625 -6.142) 20.909 13.246 ( -0.289 -11.143 1.592) 11.260 13.826 ( 3.550 14.123 -5.119) 15.436 14.130 ( 0.198 -3.276 -8.607) 9.212 14.935 ( -2.563 -16.278 -15.419) 22.567 ======================= Grid point 420 (135/270) ======================= q-point: ( 0.20 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.300 ( -6.915 19.266 18.638) 27.683 3.707 ( 11.673 24.433 14.645) 30.785 4.766 ( -8.793 -5.206 4.634) 11.220 5.119 ( 3.267 -10.797 5.416) 12.513 5.319 ( 12.514 6.852 24.398) 28.263 5.665 ( -7.365 5.983 13.198) 16.255 8.013 ( -0.604 -7.063 -1.414) 7.228 8.109 ( -5.963 -7.988 -2.821) 10.360 9.279 ( 0.199 -0.510 24.960) 24.966 9.515 ( -5.500 0.686 23.986) 24.618 9.802 ( 1.105 5.182 21.188) 21.841 10.286 ( -6.786 -9.607 26.634) 29.116 11.869 ( 3.085 8.831 6.681) 11.495 12.706 ( 4.668 11.127 -9.784) 15.535 13.280 ( 5.125 -8.340 5.364) 11.162 13.920 ( 5.527 10.911 -4.946) 13.193 14.136 ( 0.467 -0.770 -7.280) 7.336 14.860 ( -5.056 -15.205 -13.215) 20.769 ======================= Grid point 421 (136/270) ======================= q-point: ( 0.30 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 5.497 16.670 10.183) 20.292 3.978 ( 15.576 21.961 11.001) 29.084 4.539 ( -13.739 -5.349 2.432) 14.942 5.201 ( 3.354 -3.423 0.267) 4.800 5.478 ( -8.962 2.844 16.892) 19.332 5.509 ( 4.864 4.240 18.090) 19.207 7.988 ( -2.868 -6.427 -3.126) 7.701 7.998 ( -4.002 -7.476 -1.997) 8.712 9.280 ( -0.012 -2.712 20.613) 20.791 9.425 ( -3.403 -1.634 26.345) 26.614 9.820 ( 1.015 5.476 23.114) 23.775 10.157 ( -6.321 -0.516 29.579) 30.251 11.971 ( 7.096 3.373 5.701) 9.707 12.692 ( -5.293 2.292 -7.358) 9.349 13.463 ( 12.383 -1.494 4.912) 13.405 14.016 ( 3.176 6.678 -4.975) 8.912 14.160 ( 2.725 2.033 -5.582) 6.535 14.738 ( -7.266 -13.716 -10.480) 18.728 ======================= Grid point 422 (137/270) ======================= q-point: ( 0.40 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 15.250 11.326 2.709) 19.189 4.173 ( -11.028 7.462 -0.742) 13.336 4.375 ( 12.344 9.599 8.963) 18.023 5.085 ( -15.416 14.539 0.413) 21.195 5.416 ( 4.142 -9.246 15.100) 18.183 5.563 ( -0.242 0.108 14.362) 14.364 7.921 ( -2.095 -6.584 -2.971) 7.521 7.949 ( -2.405 -7.000 -2.241) 7.733 9.289 ( 1.158 -4.379 19.445) 19.966 9.373 ( -2.346 -3.709 24.392) 24.783 9.854 ( 2.714 6.636 26.623) 27.572 10.037 ( -5.924 5.086 30.538) 31.520 12.138 ( 9.704 -0.775 3.961) 10.509 12.540 ( -9.452 -1.839 -2.626) 9.981 13.713 ( 12.129 3.005 2.611) 12.765 14.017 ( -2.821 6.143 -2.993) 7.393 14.258 ( 6.768 -0.875 -5.783) 8.945 14.580 ( -8.660 -11.492 -8.167) 16.546 ======================= Grid point 423 (138/270) ======================= q-point: (-0.50 0.25 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( -18.553 5.496 -0.833) 19.368 3.839 ( 18.553 5.496 -0.833) 19.368 4.730 ( -19.379 15.310 5.528) 25.308 4.730 ( 19.379 15.310 5.528) 25.308 5.512 ( -4.393 -4.523 12.298) 13.820 5.512 ( 4.393 -4.523 12.298) 13.820 7.912 ( -1.000 -6.786 -2.526) 7.310 7.912 ( 1.000 -6.786 -2.526) 7.310 9.326 ( -2.357 -4.821 21.114) 21.786 9.326 ( 2.357 -4.821 21.114) 21.786 9.929 ( -4.822 7.128 29.533) 30.762 9.929 ( 4.822 7.128 29.533) 30.762 12.340 ( -10.541 -2.583 1.225) 10.922 12.340 ( 10.541 -2.583 1.225) 10.922 13.913 ( -7.807 5.960 -0.016) 9.822 13.913 ( 7.807 5.960 -0.016) 9.822 14.409 ( -8.440 -7.164 -6.766) 12.974 14.409 ( 8.440 -7.164 -6.766) 12.974 ======================= Grid point 429 (139/270) ======================= q-point: ( 0.00 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( 0.000 18.173 18.331) 25.812 4.080 ( 0.000 19.782 19.712) 27.927 4.627 ( 0.000 -13.923 12.422) 18.658 4.874 ( 0.000 -14.289 9.044) 16.911 5.271 ( 0.000 21.111 26.376) 33.784 5.810 ( 0.000 -2.788 16.227) 16.465 7.902 ( 0.000 -2.932 -1.270) 3.195 8.043 ( 0.000 -8.618 -1.913) 8.828 9.360 ( 0.000 6.544 28.290) 29.037 9.749 ( 0.000 -3.703 22.886) 23.184 9.820 ( 0.000 5.376 20.970) 21.648 10.048 ( 0.000 -14.032 22.300) 26.348 12.214 ( 0.000 17.723 4.303) 18.238 12.899 ( 0.000 22.932 -3.746) 23.236 12.964 ( 0.000 -14.828 -1.872) 14.946 13.907 ( 0.000 -17.454 -8.100) 19.242 14.114 ( 0.000 14.390 -8.236) 16.581 14.631 ( 0.000 -13.047 -15.177) 20.014 ======================= Grid point 430 (140/270) ======================= q-point: ( 0.10 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( -6.304 19.707 19.559) 28.472 4.036 ( 1.321 19.745 16.774) 25.942 4.659 ( 2.940 -12.538 11.704) 17.402 4.810 ( -5.779 -15.702 8.361) 18.704 5.373 ( 8.707 17.746 24.523) 31.497 5.811 ( -0.369 -1.087 15.200) 15.244 7.900 ( -0.260 -3.218 -1.550) 3.581 8.018 ( -2.511 -7.954 -2.326) 8.659 9.346 ( -1.400 5.644 27.356) 27.967 9.650 ( -7.351 -2.359 22.383) 23.677 9.863 ( 2.097 3.491 21.460) 21.843 10.059 ( 1.101 -12.111 24.415) 27.276 12.184 ( -2.464 17.687 4.709) 18.469 12.917 ( -3.408 -2.569 -9.575) 10.483 13.003 ( 8.590 8.731 3.911) 12.858 13.931 ( 2.344 -16.400 -7.725) 18.279 14.130 ( 1.530 13.546 -7.688) 15.651 14.616 ( -1.625 -12.472 -14.215) 18.981 ======================= Grid point 431 (141/270) ======================= q-point: ( 0.20 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.751 ( -7.114 22.542 15.541) 28.289 4.153 ( 9.005 16.846 14.849) 24.194 4.612 ( -9.178 -10.108 6.321) 15.045 4.799 ( 6.599 -16.523 10.467) 20.642 5.541 ( 7.083 11.729 20.130) 24.351 5.771 ( -4.277 2.667 12.671) 13.637 7.888 ( -1.036 -4.065 -2.183) 4.729 7.949 ( -4.339 -6.391 -3.159) 8.346 9.309 ( -2.301 3.289 24.238) 24.568 9.499 ( -7.482 -2.634 22.998) 24.328 9.893 ( 1.301 3.487 22.882) 23.183 10.088 ( 1.654 -7.948 28.077) 29.227 12.138 ( -1.807 15.787 5.225) 16.727 12.810 ( -7.098 -7.895 -5.211) 11.826 13.229 ( 13.483 10.665 0.428) 17.197 13.995 ( 4.041 -13.448 -6.737) 15.574 14.167 ( 2.059 11.092 -6.494) 13.017 14.565 ( -3.603 -10.953 -11.716) 16.438 ======================= Grid point 432 (142/270) ======================= q-point: ( 0.30 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 0.607 20.140 9.051) 22.089 4.348 ( 3.702 1.866 10.458) 11.250 4.431 ( -1.463 4.752 5.707) 7.570 4.972 ( 10.357 -13.573 9.464) 19.520 5.621 ( 0.683 5.894 15.069) 16.195 5.629 ( -10.158 6.700 9.496) 15.436 7.854 ( -2.886 -5.177 -2.430) 6.406 7.863 ( -3.549 -4.913 -3.895) 7.205 9.259 ( -2.520 0.671 20.447) 20.613 9.374 ( -5.110 -3.153 23.323) 24.083 9.927 ( 2.401 4.788 26.216) 26.758 10.114 ( 0.772 -3.351 30.493) 30.687 12.126 ( 0.771 11.001 5.345) 12.255 12.649 ( -9.055 -7.555 -2.040) 11.968 13.509 ( 14.620 7.833 -0.490) 16.594 14.082 ( 4.542 -8.752 -5.305) 11.197 14.200 ( 0.966 7.010 -5.556) 8.997 14.473 ( -5.684 -8.977 -8.618) 13.681 ======================= Grid point 433 (143/270) ======================= q-point: ( 0.40 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 7.359 13.286 3.645) 15.619 4.169 ( -11.382 -4.114 1.970) 12.263 4.687 ( 16.796 14.655 9.933) 24.403 5.190 ( 11.281 -10.639 10.391) 18.666 5.373 ( -15.295 10.830 5.715) 19.593 5.572 ( -5.706 0.242 10.380) 11.848 7.793 ( -2.126 -4.739 -3.170) 6.085 7.811 ( -2.344 -5.332 -3.116) 6.606 9.226 ( -0.560 -1.429 19.288) 19.349 9.292 ( -3.433 -3.682 21.506) 22.088 9.989 ( 3.683 5.827 29.351) 30.150 10.110 ( -1.387 1.352 31.416) 31.475 12.176 ( 4.384 4.521 4.888) 7.972 12.466 ( -9.319 -5.489 1.085) 10.869 13.789 ( 13.571 5.231 -1.084) 14.584 14.149 ( -0.137 3.815 -2.277) 4.445 14.203 ( 0.874 -5.254 -6.644) 8.515 14.353 ( -5.898 -6.861 -6.074) 10.897 ======================= Grid point 434 (144/270) ======================= q-point: (-0.50 0.38 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.950 ( -10.622 4.336 1.350) 11.553 3.950 ( 10.622 4.336 1.350) 11.553 5.034 ( -17.925 12.167 9.298) 23.576 5.034 ( 17.925 12.167 9.298) 23.576 5.412 ( -10.076 -4.707 7.054) 13.169 5.412 ( 10.076 -4.707 7.054) 13.169 7.779 ( -0.640 -5.047 -3.024) 5.919 7.779 ( 0.640 -5.047 -3.024) 5.919 9.239 ( -1.821 -3.073 19.839) 20.158 9.239 ( 1.821 -3.073 19.839) 20.158 10.061 ( -3.364 4.814 31.052) 31.603 10.061 ( 3.364 4.814 31.052) 31.603 12.296 ( -7.656 -1.450 3.517) 8.549 12.296 ( 7.656 -1.450 3.517) 8.549 14.028 ( -10.213 4.391 -1.876) 11.275 14.028 ( 10.213 4.391 -1.876) 11.275 14.262 ( -3.696 -5.954 -5.418) 8.858 14.262 ( 3.696 -5.954 -5.418) 8.858 ======================= Grid point 440 (145/270) ======================= q-point: ( 0.00 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.270 ( 0.000 -12.324 17.966) 21.787 4.270 ( 0.000 12.324 17.966) 21.787 4.538 ( 0.000 -15.486 12.877) 20.140 4.538 ( 0.000 15.486 12.877) 20.140 5.646 ( 0.000 -13.033 20.064) 23.926 5.646 ( 0.000 13.033 20.064) 23.926 7.909 ( 0.000 -3.594 -1.862) 4.047 7.909 ( 0.000 3.594 -1.862) 4.047 9.554 ( 0.000 -11.266 27.706) 29.909 9.554 ( 0.000 11.266 27.706) 29.909 9.904 ( 0.000 -3.099 19.965) 20.204 9.904 ( 0.000 3.099 19.965) 20.204 12.599 ( 0.000 -18.097 2.520) 18.272 12.599 ( 0.000 18.097 2.520) 18.272 13.432 ( 0.000 -25.296 -8.361) 26.642 13.432 ( 0.000 25.296 -8.361) 26.642 14.386 ( 0.000 -11.397 -11.552) 16.227 14.386 ( 0.000 11.397 -11.552) 16.227 ======================= Grid point 442 (146/270) ======================= q-point: ( 0.10 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.283 ( 0.166 -9.919 17.464) 20.085 4.283 ( 0.166 9.919 17.464) 20.085 4.484 ( -3.489 -10.161 11.790) 15.951 4.484 ( -3.489 10.161 11.790) 15.951 5.689 ( 3.504 -10.729 18.682) 21.827 5.689 ( 3.504 10.729 18.682) 21.827 7.897 ( -1.212 -3.023 -2.223) 3.944 7.897 ( -1.212 3.023 -2.223) 3.944 9.509 ( -4.276 -8.989 26.115) 27.947 9.509 ( -4.276 8.989 26.115) 27.947 9.922 ( 1.689 -2.787 22.043) 22.283 9.922 ( 1.689 2.787 22.043) 22.283 12.573 ( -2.586 -18.375 2.380) 18.708 12.573 ( -2.586 18.375 2.380) 18.708 13.478 ( 4.635 -24.096 -7.725) 25.725 13.478 ( 4.635 24.096 -7.725) 25.725 14.385 ( -0.154 -10.641 -10.711) 15.099 14.385 ( -0.154 10.641 -10.711) 15.099 ======================= Grid point 444 (147/270) ======================= q-point: ( 0.20 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( -6.430 -18.622 12.331) 23.242 4.214 ( -6.430 18.622 12.331) 23.242 4.510 ( 6.405 -10.232 12.359) 17.276 4.510 ( 6.405 10.232 12.359) 17.276 5.741 ( 0.845 -5.866 15.298) 16.406 5.741 ( 0.845 5.866 15.298) 16.406 7.860 ( -2.542 -1.589 -2.992) 4.235 7.860 ( -2.542 1.589 -2.992) 4.235 9.406 ( -5.637 -5.318 23.443) 24.691 9.406 ( -5.637 5.318 23.443) 24.691 9.966 ( 2.743 -3.947 25.836) 26.279 9.966 ( 2.743 3.947 25.836) 26.279 12.501 ( -4.603 -17.419 2.468) 18.186 12.501 ( -4.603 17.419 2.468) 18.186 13.606 ( 8.041 -20.661 -6.394) 23.074 13.606 ( 8.041 20.661 -6.394) 23.074 14.375 ( -0.996 -8.519 -8.587) 12.137 14.375 ( -0.996 8.519 -8.587) 12.137 ======================= Grid point 446 (148/270) ======================= q-point: ( 0.30 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( -5.105 -17.230 7.009) 19.289 4.093 ( -5.105 17.230 7.009) 19.289 4.694 ( 11.785 -12.577 11.805) 20.891 4.694 ( 11.785 12.577 11.805) 20.891 5.700 ( -5.221 -0.566 11.006) 12.194 5.700 ( -5.221 0.566 11.006) 12.194 7.801 ( -3.206 -0.431 -3.476) 4.748 7.801 ( -3.206 0.431 -3.476) 4.748 9.302 ( -4.682 -3.142 21.254) 21.989 9.302 ( -4.682 3.142 21.254) 21.989 10.027 ( 3.370 -4.580 29.070) 29.621 10.027 ( 3.370 4.580 29.070) 29.621 12.403 ( -5.087 -13.877 3.175) 15.117 12.403 ( -5.087 13.877 3.175) 15.117 13.780 ( 9.411 -15.958 -5.227) 19.249 13.780 ( 9.411 15.958 -5.227) 19.249 14.341 ( -2.671 -5.604 -6.035) 8.658 14.341 ( -2.671 5.604 -6.035) 8.658 ======================= Grid point 448 (149/270) ======================= q-point: ( 0.40 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.021 ( -2.288 -9.825 3.375) 10.637 4.021 ( -2.288 9.825 3.375) 10.637 4.957 ( 14.425 -11.317 11.541) 21.664 4.957 ( 14.425 11.317 11.541) 21.664 5.538 ( -10.945 -4.302 6.415) 13.396 5.538 ( -10.945 4.302 6.415) 13.396 7.745 ( -2.256 -0.506 -3.412) 4.122 7.745 ( -2.256 0.506 -3.412) 4.122 9.230 ( -2.551 -1.779 19.888) 20.130 9.230 ( -2.551 1.779 19.888) 20.130 10.088 ( 2.537 -3.181 30.994) 31.260 10.088 ( 2.537 3.181 30.994) 31.260 12.316 ( -3.421 -7.830 4.053) 9.457 12.316 ( -3.421 7.830 4.053) 9.457 13.961 ( 8.644 -10.778 -4.895) 14.657 13.961 ( 8.644 10.778 -4.895) 14.657 14.268 ( -4.632 -3.731 -3.645) 6.976 14.268 ( -4.632 3.731 -3.645) 6.976 ======================= Grid point 450 (150/270) ======================= q-point: (-0.50 -0.50 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 0.000 0.000 2.083) 2.083 3.999 ( 0.000 0.000 2.083) 2.083 5.190 ( -0.000 0.000 19.795) 19.795 5.190 ( 0.000 0.000 19.795) 19.795 5.339 ( -0.000 -0.000 -3.843) 3.843 5.339 ( 0.000 -0.000 -3.843) 3.843 7.722 ( 0.000 0.000 -3.273) 3.273 7.722 ( 0.000 0.000 -3.273) 3.273 9.205 ( 0.000 0.000 19.433) 19.433 9.205 ( 0.000 0.000 19.433) 19.433 10.115 ( 0.000 0.000 31.597) 31.597 10.115 ( 0.000 0.000 31.597) 31.597 12.280 ( 0.000 0.000 4.441) 4.441 12.280 ( 0.000 0.000 4.441) 4.441 14.081 ( -0.000 -0.000 -6.776) 6.776 14.081 ( -0.000 0.000 -6.776) 6.776 14.190 ( 0.000 -0.000 -0.774) 0.774 14.190 ( 0.000 0.000 -0.774) 0.774 ======================= Grid point 495 (151/270) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 0.000 0.000 22.899) 22.899 3.673 ( 0.000 0.000 18.417) 18.417 5.262 ( 0.000 0.000 32.137) 32.137 5.292 ( 0.000 0.000 0.980) 0.980 5.336 ( 0.000 0.000 0.482) 0.482 5.931 ( 0.000 0.000 15.414) 15.414 8.250 ( 0.000 0.000 -0.897) 0.897 8.439 ( 0.000 0.000 -4.301) 4.301 9.746 ( 0.000 0.000 18.142) 18.142 9.987 ( 0.000 0.000 28.150) 28.150 10.036 ( 0.000 0.000 15.622) 15.622 11.560 ( 0.000 0.000 1.541) 1.541 11.732 ( 0.000 0.000 8.862) 8.862 11.767 ( 0.000 0.000 7.748) 7.748 13.245 ( 0.000 0.000 -3.037) 3.037 13.586 ( 0.000 0.000 2.113) 2.113 13.914 ( 0.000 0.000 -11.275) 11.275 15.061 ( 0.000 0.000 -16.337) 16.337 ======================= Grid point 496 (152/270) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 6.618 0.000 21.324) 22.327 3.523 ( -13.329 0.000 18.942) 23.161 5.149 ( -5.353 0.000 8.247) 9.832 5.273 ( -6.443 0.000 -0.393) 6.455 5.481 ( 11.582 0.000 21.347) 24.287 5.931 ( 0.058 0.000 15.130) 15.130 8.237 ( -1.249 0.000 -0.995) 1.597 8.381 ( -5.463 0.000 -3.963) 6.749 9.758 ( 1.129 0.000 17.531) 17.567 9.969 ( -1.390 0.000 21.971) 22.015 10.052 ( 1.104 0.000 21.909) 21.936 11.248 ( -18.621 0.000 11.480) 21.875 11.799 ( 3.300 0.000 6.913) 7.661 12.032 ( 17.235 0.000 -0.128) 17.236 13.272 ( 2.685 0.000 -2.551) 3.703 13.633 ( 4.852 0.000 2.165) 5.313 13.907 ( -0.665 0.000 -10.629) 10.650 15.037 ( -2.420 0.000 -15.609) 15.796 ======================= Grid point 497 (153/270) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -12.339 0.000 16.056) 20.250 3.279 ( 11.519 0.000 17.030) 20.560 5.038 ( -6.490 0.000 2.990) 7.145 5.080 ( -13.138 0.000 -2.391) 13.354 5.694 ( 9.302 0.000 20.778) 22.765 5.932 ( 0.020 0.000 14.381) 14.381 8.203 ( -2.210 0.000 -1.300) 2.564 8.249 ( -7.278 0.000 -3.263) 7.977 9.789 ( 1.955 0.000 16.498) 16.614 9.943 ( -1.092 0.000 17.458) 17.493 10.071 ( 0.843 0.000 26.670) 26.684 10.905 ( -16.098 0.000 18.309) 24.380 11.896 ( 6.434 0.000 4.792) 8.022 12.320 ( 11.379 0.000 -5.012) 12.434 13.347 ( 5.029 0.000 -0.744) 5.084 13.775 ( 9.402 0.000 1.510) 9.523 13.888 ( -1.329 0.000 -8.916) 9.015 14.966 ( -4.765 0.000 -13.633) 14.441 ======================= Grid point 498 (154/270) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -0.313 0.000 7.710) 7.716 3.527 ( 12.905 0.000 10.535) 16.660 4.769 ( -17.903 0.000 -3.550) 18.252 4.883 ( -9.372 0.000 2.267) 9.643 5.832 ( 4.743 0.000 17.360) 17.996 5.931 ( -0.222 0.000 13.490) 13.492 8.121 ( -5.290 0.000 -2.633) 5.909 8.152 ( -2.905 0.000 -1.732) 3.382 9.834 ( 2.579 0.000 16.231) 16.434 9.932 ( -0.035 0.000 16.068) 16.068 10.088 ( 1.026 0.000 28.269) 28.288 10.619 ( -13.102 0.000 22.645) 26.162 12.044 ( 8.384 0.000 2.074) 8.636 12.464 ( 3.274 0.000 -6.881) 7.620 13.469 ( 7.112 0.000 0.555) 7.134 13.854 ( -2.102 0.000 -6.638) 6.963 13.990 ( 12.123 0.000 -0.010) 12.123 14.850 ( -7.088 0.000 -10.882) 12.986 ======================= Grid point 499 (155/270) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 13.073 0.000 -2.081) 13.238 3.720 ( 3.369 0.000 -0.126) 3.371 4.447 ( -11.168 0.000 0.864) 11.201 4.672 ( -11.821 0.000 3.829) 12.426 5.891 ( 1.701 0.000 14.501) 14.601 5.924 ( -0.480 0.000 12.907) 12.916 8.052 ( -1.724 0.000 -2.275) 2.855 8.093 ( -2.859 0.000 -2.058) 3.522 9.886 ( 2.596 0.000 16.688) 16.888 9.937 ( 0.261 0.000 16.272) 16.274 10.123 ( 2.963 0.000 27.930) 28.087 10.389 ( -10.293 0.000 24.967) 27.006 12.213 ( 8.449 0.000 -0.793) 8.486 12.462 ( -2.972 0.000 -5.893) 6.600 13.609 ( 6.730 0.000 -0.208) 6.733 13.803 ( -3.227 0.000 -4.257) 5.342 14.238 ( 12.779 0.000 -2.123) 12.955 14.687 ( -9.456 0.000 -7.824) 12.273 ======================= Grid point 500 (156/270) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -16.429 0.000 -7.660) 18.127 3.561 ( 16.429 0.000 -7.660) 18.127 4.450 ( -9.102 0.000 6.072) 10.941 4.450 ( 9.102 0.000 6.072) 10.941 5.912 ( -0.700 0.000 13.091) 13.109 5.912 ( 0.700 0.000 13.091) 13.109 8.050 ( -1.326 0.000 -2.172) 2.545 8.050 ( 1.326 0.000 -2.172) 2.545 9.927 ( -1.405 0.000 16.894) 16.952 9.927 ( 1.405 0.000 16.894) 16.952 10.218 ( -6.891 0.000 26.486) 27.368 10.218 ( 6.891 0.000 26.486) 27.368 12.364 ( -6.663 0.000 -3.559) 7.554 12.364 ( 6.663 0.000 -3.559) 7.554 13.724 ( -4.895 0.000 -2.044) 5.305 13.724 ( 4.895 0.000 -2.044) 5.305 14.480 ( -11.614 0.000 -4.803) 12.568 14.480 ( 11.614 0.000 -4.803) 12.568 ======================= Grid point 506 (157/270) ======================= q-point: ( 0.00 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 0.000 21.691 20.086) 29.562 3.785 ( 0.000 10.155 18.093) 20.748 5.230 ( 0.000 -5.559 2.981) 6.308 5.254 ( 0.000 -1.260 14.364) 14.419 5.363 ( 0.000 3.269 18.293) 18.583 5.980 ( 0.000 4.212 14.574) 15.170 8.172 ( 0.000 -6.774 -0.862) 6.828 8.367 ( 0.000 -6.453 -4.086) 7.638 9.762 ( 0.000 1.149 19.794) 19.827 10.020 ( 0.000 3.297 25.738) 25.949 10.055 ( 0.000 1.747 15.657) 15.754 11.262 ( 0.000 -18.782 10.137) 21.343 11.802 ( 0.000 6.474 8.089) 10.361 12.013 ( 0.000 14.462 -0.065) 14.463 13.327 ( 0.000 5.299 -2.745) 5.968 13.556 ( 0.000 -1.100 1.400) 1.780 13.934 ( 0.000 1.533 -10.741) 10.850 14.941 ( 0.000 -10.948 -16.297) 19.633 ======================= Grid point 507 (158/270) ======================= q-point: ( 0.10 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.342 ( 5.594 20.987 18.880) 28.778 3.634 ( -13.422 10.005 18.627) 25.045 5.100 ( -6.926 -3.651 5.606) 9.629 5.283 ( -3.147 -1.136 0.419) 3.372 5.495 ( 11.523 2.325 24.679) 27.336 5.963 ( -1.657 3.018 14.698) 15.096 8.162 ( -1.032 -6.547 -1.027) 6.707 8.315 ( -4.968 -6.030 -3.844) 8.707 9.753 ( -0.841 -0.274 18.619) 18.640 10.017 ( -0.206 3.812 23.005) 23.320 10.065 ( 0.826 1.654 19.135) 19.224 11.125 ( -11.577 -11.127 13.734) 21.129 11.818 ( 2.415 3.922 7.499) 8.800 12.157 ( 11.451 9.702 -2.950) 15.296 13.346 ( 2.005 4.614 -1.574) 5.271 13.605 ( 4.914 -0.891 0.923) 5.078 13.933 ( -0.092 1.996 -10.105) 10.301 14.922 ( -1.959 -10.526 -15.544) 18.874 ======================= Grid point 508 (159/270) ======================= q-point: ( 0.20 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -12.127 10.013 16.390) 22.714 3.510 ( 9.665 18.920 14.865) 25.929 4.933 ( -10.834 -4.962 1.719) 12.040 5.187 ( -6.280 4.084 -1.091) 7.570 5.708 ( 9.128 1.597 21.034) 22.985 5.921 ( -2.322 -0.386 14.889) 15.074 8.130 ( -2.387 -6.122 -1.736) 6.796 8.196 ( -6.345 -5.147 -3.000) 8.703 9.735 ( -0.772 -3.146 16.579) 16.893 10.009 ( -0.808 2.498 21.357) 21.518 10.086 ( 1.452 3.173 22.091) 22.365 10.882 ( -12.292 -2.618 19.400) 23.115 11.901 ( 5.893 1.426 5.660) 8.294 12.370 ( 8.867 4.630 -6.649) 12.011 13.411 ( 4.788 4.098 1.050) 6.389 13.737 ( 8.018 -1.588 -0.590) 8.195 13.933 ( 0.323 3.320 -8.179) 8.833 14.863 ( -4.037 -9.449 -13.523) 16.984 ======================= Grid point 509 (160/270) ======================= q-point: ( 0.30 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( -1.056 8.697 8.409) 12.144 3.730 ( 11.529 17.333 9.130) 22.731 4.670 ( -15.170 -5.033 -0.231) 15.985 5.034 ( -9.575 9.162 -1.084) 13.296 5.836 ( 3.760 0.446 16.943) 17.361 5.884 ( -1.145 -3.890 14.434) 14.993 8.055 ( -4.489 -5.523 -2.960) 7.709 8.103 ( -3.320 -4.769 -1.664) 6.045 9.733 ( 0.860 -5.490 15.832) 16.779 9.980 ( -2.240 -0.963 20.432) 20.577 10.128 ( 2.924 5.673 23.615) 24.462 10.657 ( -10.526 2.949 23.335) 25.769 12.041 ( 8.060 0.086 3.159) 8.657 12.479 ( 2.099 1.658 -7.508) 7.970 13.533 ( 7.237 4.699 2.193) 8.903 13.858 ( 1.937 -0.041 -4.511) 4.910 13.994 ( 7.895 1.361 -3.447) 8.722 14.762 ( -6.321 -8.107 -10.797) 14.908 ======================= Grid point 510 (161/270) ======================= q-point: ( 0.40 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 12.210 6.961 -0.771) 14.076 3.871 ( -1.736 12.459 -2.071) 12.749 4.430 ( -4.340 0.527 4.189) 6.055 4.811 ( -12.843 10.933 1.549) 16.937 5.863 ( 0.321 -4.025 13.796) 14.375 5.883 ( 0.146 -2.169 13.636) 13.808 7.993 ( -1.523 -5.117 -2.547) 5.915 8.041 ( -2.969 -4.794 -1.980) 5.977 9.772 ( 3.049 -6.480 16.423) 17.916 9.922 ( -3.556 -4.107 19.020) 19.780 10.203 ( 4.795 7.160 24.829) 26.281 10.468 ( -8.691 6.206 25.195) 27.365 12.206 ( 8.358 -0.510 0.346) 8.380 12.462 ( -3.465 0.145 -5.575) 6.565 13.674 ( 6.627 5.351 0.858) 8.561 13.846 ( -2.154 3.712 -3.707) 5.671 14.198 ( 11.489 -3.226 -3.396) 12.407 14.614 ( -8.743 -6.771 -7.931) 13.608 ======================= Grid point 511 (162/270) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( -17.712 6.065 -6.435) 19.796 3.630 ( 17.712 6.065 -6.435) 19.796 4.552 ( -12.425 9.339 5.309) 16.425 4.552 ( 12.425 9.339 5.309) 16.425 5.874 ( -0.761 -3.456 12.952) 13.427 5.874 ( 0.761 -3.456 12.952) 13.427 7.995 ( -1.477 -4.923 -2.242) 5.607 7.995 ( 1.477 -4.923 -2.242) 5.607 9.845 ( -4.075 -6.028 17.582) 19.028 9.845 ( 4.075 -6.028 17.582) 19.028 10.316 ( -6.767 7.457 25.520) 27.434 10.316 ( 6.767 7.457 25.520) 27.434 12.357 ( -6.815 -0.490 -2.649) 7.328 12.357 ( 6.815 -0.490 -2.649) 7.328 13.782 ( -4.364 5.085 -1.410) 6.848 13.782 ( 4.364 5.085 -1.410) 6.848 14.420 ( -10.817 -5.345 -5.343) 13.195 14.420 ( 10.817 -5.345 -5.343) 13.195 ======================= Grid point 517 (163/270) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 0.000 24.853 16.088) 29.606 4.073 ( 0.000 16.047 16.872) 23.285 5.070 ( 0.000 -9.192 6.751) 11.405 5.187 ( 0.000 -5.299 3.936) 6.601 5.508 ( 0.000 10.703 28.092) 30.062 6.082 ( 0.000 4.630 14.165) 14.903 8.002 ( 0.000 -8.124 -1.115) 8.201 8.188 ( 0.000 -9.740 -3.713) 10.423 9.794 ( 0.000 2.290 22.238) 22.356 10.107 ( 0.000 2.996 16.060) 16.337 10.121 ( 0.000 5.598 21.617) 22.330 10.848 ( 0.000 -19.503 16.143) 25.317 11.998 ( 0.000 11.755 5.889) 13.147 12.334 ( 0.000 15.994 -5.669) 16.969 13.283 ( 0.000 -8.585 2.724) 9.007 13.689 ( 0.000 12.037 -4.606) 12.888 13.942 ( 0.000 -2.332 -9.115) 9.408 14.631 ( 0.000 -16.630 -16.076) 23.130 ======================= Grid point 518 (164/270) ======================= q-point: ( 0.10 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( 3.996 23.643 15.246) 28.415 3.925 ( -12.865 17.405 17.412) 27.778 5.007 ( -5.714 -5.285 5.326) 9.431 5.180 ( -0.949 -8.297 3.080) 8.901 5.614 ( 8.918 8.918 25.597) 28.535 6.051 ( -3.275 4.644 14.006) 15.115 7.997 ( -0.561 -7.973 -1.335) 8.103 8.146 ( -4.057 -9.225 -3.658) 10.721 9.761 ( -3.017 1.472 19.954) 20.235 10.073 ( -2.715 1.595 22.344) 22.564 10.154 ( 2.372 5.697 17.110) 18.189 10.827 ( -1.955 -15.532 18.115) 23.942 11.984 ( -0.657 11.155 6.179) 12.769 12.404 ( 5.907 13.333 -7.488) 16.393 13.305 ( 2.430 -8.065 3.837) 9.256 13.727 ( 3.664 11.270 -4.649) 12.730 13.954 ( 1.179 -1.572 -8.612) 8.834 14.623 ( -0.870 -16.066 -15.228) 22.154 ======================= Grid point 519 (165/270) ======================= q-point: ( 0.20 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( -13.097 17.052 15.052) 26.246 3.985 ( 8.382 23.466 12.734) 27.983 4.837 ( -11.583 -4.435 2.561) 12.665 5.175 ( 0.583 -5.926 1.431) 6.124 5.781 ( 6.835 5.505 20.438) 22.243 5.952 ( -6.618 3.595 14.144) 16.024 7.977 ( -1.746 -7.566 -2.219) 8.076 8.045 ( -5.484 -8.282 -3.040) 10.388 9.693 ( -3.454 -0.462 16.851) 17.208 10.003 ( -4.286 -1.830 22.630) 23.105 10.209 ( 3.189 6.570 19.260) 20.598 10.778 ( -3.007 -6.981 21.860) 23.144 11.997 ( 2.284 8.044 5.845) 10.202 12.512 ( 3.977 8.370 -9.423) 13.216 13.392 ( 6.748 -6.103 5.560) 10.663 13.819 ( 5.320 9.197 -4.883) 11.693 13.987 ( 2.228 0.403 -7.238) 7.584 14.593 ( -2.331 -14.654 -13.027) 19.745 ======================= Grid point 520 (166/270) ======================= q-point: ( 0.30 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( -3.141 16.095 8.467) 18.455 4.169 ( 8.913 21.863 7.309) 24.716 4.578 ( -13.167 -4.096 1.968) 13.929 5.177 ( -1.576 2.274 -1.316) 3.063 5.811 ( -6.700 -1.023 15.299) 16.734 5.862 ( 1.290 1.936 15.758) 15.929 7.915 ( -3.990 -7.042 -3.617) 8.865 7.963 ( -3.014 -7.784 -1.663) 8.512 9.643 ( -1.257 -2.715 15.788) 16.069 9.910 ( -5.082 -4.574 20.769) 21.866 10.281 ( 4.197 7.609 22.250) 23.887 10.706 ( -4.438 0.878 24.421) 24.836 12.075 ( 5.531 3.886 4.530) 8.137 12.539 ( -1.215 3.675 -7.711) 8.628 13.566 ( 10.431 -2.741 5.021) 11.896 13.914 ( 3.762 6.765 -4.994) 9.212 14.045 ( 3.816 1.940 -5.683) 7.115 14.527 ( -4.470 -12.916 -10.267) 17.094 ======================= Grid point 521 (167/270) ======================= q-point: ( 0.40 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( 8.867 12.654 0.904) 15.478 4.119 ( -15.051 7.622 -4.489) 17.458 4.546 ( 11.221 11.545 8.061) 18.005 5.069 ( -9.835 11.912 -0.771) 15.466 5.734 ( -0.474 -6.786 14.890) 16.370 5.843 ( -2.803 -1.940 12.853) 13.298 7.858 ( -1.427 -6.960 -3.016) 7.719 7.905 ( -2.831 -7.425 -2.043) 8.205 9.650 ( 1.961 -4.698 16.156) 16.939 9.808 ( -5.157 -5.943 18.741) 20.326 10.375 ( 5.340 8.353 24.330) 26.272 10.605 ( -5.740 5.852 25.404) 26.694 12.205 ( 7.314 0.894 2.485) 7.776 12.473 ( -5.145 0.801 -3.950) 6.536 13.770 ( 9.436 1.718 2.688) 9.961 13.952 ( 0.002 6.547 -3.382) 7.369 14.141 ( 5.975 -1.361 -5.619) 8.314 14.417 ( -6.663 -10.936 -7.806) 14.997 ======================= Grid point 522 (168/270) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( -16.314 8.143 -3.856) 18.637 3.789 ( 16.314 8.143 -3.856) 18.637 4.818 ( -14.535 14.689 3.777) 21.008 4.818 ( 14.535 14.689 3.777) 21.008 5.774 ( -3.569 -5.768 12.693) 14.392 5.774 ( 3.569 -5.768 12.693) 14.392 7.860 ( -1.464 -7.142 -2.463) 7.696 7.860 ( 1.464 -7.142 -2.463) 7.696 9.714 ( -4.252 -5.920 17.180) 18.663 9.714 ( 4.252 -5.920 17.180) 18.663 10.487 ( -6.029 8.063 25.335) 27.262 10.487 ( 6.029 8.063 25.335) 27.262 12.350 ( -7.151 -0.118 -0.347) 7.160 12.350 ( 7.151 -0.118 -0.347) 7.160 13.910 ( -4.553 5.911 -0.448) 7.475 13.910 ( 4.553 5.911 -0.448) 7.475 14.275 ( -7.421 -7.438 -6.316) 12.259 14.275 ( 7.421 -7.438 -6.316) 12.259 ======================= Grid point 528 (169/270) ======================= q-point: ( 0.00 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( 0.000 17.860 14.509) 23.011 4.430 ( 0.000 16.902 14.352) 22.173 4.851 ( 0.000 -11.301 10.321) 15.304 5.025 ( 0.000 -10.001 6.396) 11.871 5.791 ( 0.000 14.461 24.048) 28.061 6.139 ( 0.000 -0.089 15.763) 15.763 7.867 ( 0.000 -3.856 -1.994) 4.341 7.986 ( 0.000 -8.494 -3.452) 9.169 9.882 ( 0.000 6.418 22.956) 23.836 10.162 ( 0.000 1.131 17.922) 17.957 10.227 ( 0.000 3.800 18.992) 19.368 10.466 ( 0.000 -15.466 18.749) 24.305 12.287 ( 0.000 14.961 2.657) 15.195 12.672 ( 0.000 12.636 -12.072) 17.476 13.083 ( 0.000 -6.065 7.061) 9.308 13.747 ( 0.000 -17.059 -7.455) 18.617 13.952 ( 0.000 11.610 -7.744) 13.956 14.334 ( 0.000 -9.891 -14.118) 17.238 ======================= Grid point 529 (170/270) ======================= q-point: ( 0.10 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( -5.844 17.414 14.767) 23.568 4.346 ( -1.978 18.368 13.693) 22.996 4.862 ( 0.022 -8.711 8.657) 12.281 4.953 ( -5.653 -12.548 6.242) 15.112 5.850 ( 4.808 12.072 21.881) 25.448 6.122 ( -2.121 1.068 14.920) 15.108 7.861 ( -0.690 -4.150 -2.171) 4.734 7.956 ( -2.950 -7.880 -3.541) 9.129 9.831 ( -4.686 5.280 20.336) 21.526 10.081 ( -6.695 -1.736 20.132) 21.287 10.263 ( 3.173 4.367 18.046) 18.836 10.522 ( 4.581 -11.919 20.994) 24.572 12.267 ( -1.734 14.877 3.183) 15.312 12.680 ( 0.263 8.743 -11.782) 14.674 13.130 ( 5.066 -3.513 6.660) 9.076 13.778 ( 3.029 -16.072 -7.159) 17.853 13.978 ( 2.457 11.102 -7.317) 13.521 14.337 ( 0.241 -9.336 -13.214) 16.181 ======================= Grid point 530 (171/270) ======================= q-point: ( 0.20 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( -12.388 19.358 12.404) 26.116 4.427 ( 7.150 17.262 12.099) 22.259 4.712 ( -12.488 -8.535 3.945) 15.632 4.971 ( 5.191 -11.678 6.903) 14.526 5.927 ( 2.026 7.411 17.437) 19.055 6.040 ( -6.424 3.367 13.287) 15.138 7.838 ( -1.716 -4.832 -2.754) 5.820 7.879 ( -4.482 -6.576 -3.372) 8.643 9.723 ( -5.742 3.286 17.159) 18.390 9.938 ( -7.415 -4.450 19.742) 21.553 10.340 ( 4.464 5.790 21.031) 22.266 10.613 ( 4.279 -7.811 23.529) 25.158 12.233 ( -1.417 13.419 3.886) 14.042 12.660 ( -2.569 2.103 -8.706) 9.318 13.285 ( 10.430 0.491 4.121) 11.226 13.860 ( 5.117 -13.513 -6.439) 15.819 14.038 ( 3.301 9.695 -6.266) 12.006 14.336 ( -0.576 -7.823 -10.840) 13.381 ======================= Grid point 531 (172/270) ======================= q-point: ( 0.30 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.847 ( -5.931 18.308 7.005) 20.480 4.443 ( -14.137 -6.482 0.506) 15.560 4.607 ( 10.928 15.468 10.329) 21.572 5.100 ( 7.529 -8.119 4.206) 11.845 5.862 ( -10.711 4.560 12.273) 16.916 5.917 ( -3.820 2.632 13.611) 14.380 7.782 ( -3.727 -4.884 -3.900) 7.277 7.806 ( -2.741 -6.103 -2.214) 7.047 9.626 ( -3.753 1.127 16.001) 16.473 9.800 ( -6.532 -5.590 18.544) 20.440 10.436 ( 5.285 6.971 23.601) 25.170 10.678 ( 2.106 -3.417 25.026) 25.346 12.222 ( 0.595 9.703 4.049) 10.531 12.583 ( -5.038 -1.402 -4.312) 6.778 13.519 ( 12.820 1.520 1.157) 12.962 13.969 ( 5.681 -10.446 -5.788) 13.225 14.092 ( 1.908 7.780 -4.950) 9.417 14.307 ( -2.461 -5.609 -7.736) 9.868 ======================= Grid point 532 (173/270) ======================= q-point: ( 0.40 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 2.820 13.327 1.330) 13.687 4.172 ( -13.144 -1.739 -1.694) 13.366 4.853 ( 13.825 14.688 7.081) 21.378 5.230 ( 3.453 0.800 -0.305) 3.557 5.646 ( -8.655 0.608 15.006) 17.334 5.800 ( -7.778 -2.327 11.362) 13.965 7.726 ( -1.655 -4.817 -3.266) 6.051 7.755 ( -2.426 -6.004 -2.483) 6.935 9.584 ( -0.399 -1.331 15.987) 16.048 9.685 ( -5.009 -5.307 17.328) 18.802 10.542 ( 5.353 7.152 25.040) 26.586 10.689 ( -1.125 1.549 25.639) 25.711 12.262 ( 3.434 4.619 3.521) 6.747 12.471 ( -6.137 -1.832 -0.576) 6.431 13.768 ( 12.006 0.526 -1.261) 12.083 14.062 ( 1.747 -8.367 -7.089) 11.105 14.106 ( 0.782 5.976 -2.033) 6.360 14.243 ( -3.756 -2.738 -4.763) 6.655 ======================= Grid point 533 (174/270) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -9.554 5.726 -1.834) 11.288 3.944 ( 9.554 5.726 -1.834) 11.288 5.125 ( -12.519 13.005 2.250) 18.191 5.125 ( 12.519 13.005 2.250) 18.191 5.642 ( -6.783 -6.302 13.047) 15.998 5.642 ( 6.783 -6.302 13.047) 15.998 7.720 ( -0.921 -5.389 -2.773) 6.130 7.720 ( 0.921 -5.389 -2.773) 6.130 9.608 ( -2.713 -3.720 16.460) 17.091 9.608 ( 2.713 -3.720 16.460) 17.091 10.637 ( -3.985 5.455 25.627) 26.503 10.637 ( 3.985 5.455 25.627) 26.503 12.353 ( -5.605 0.290 2.050) 5.975 12.353 ( 5.605 0.290 2.050) 5.975 13.973 ( -8.417 -1.012 -3.802) 9.291 13.973 ( 8.417 -1.012 -3.802) 9.291 14.170 ( -3.704 -0.967 -3.321) 5.068 14.170 ( 3.704 -0.967 -3.321) 5.068 ======================= Grid point 539 (175/270) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.592 ( 0.000 -13.311 12.990) 18.599 4.592 ( 0.000 13.311 12.990) 18.599 4.766 ( 0.000 -14.294 10.660) 17.831 4.766 ( 0.000 14.294 10.660) 17.831 6.050 ( 0.000 -8.653 19.170) 21.032 6.050 ( 0.000 8.653 19.170) 21.032 7.858 ( 0.000 -3.051 -2.984) 4.268 7.858 ( 0.000 3.051 -2.984) 4.268 10.064 ( 0.000 -9.748 22.547) 24.564 10.064 ( 0.000 9.748 22.547) 24.564 10.282 ( 0.000 -2.433 17.170) 17.342 10.282 ( 0.000 2.433 17.170) 17.342 12.604 ( 0.000 -13.696 -2.507) 13.924 12.604 ( 0.000 13.696 -2.507) 13.924 13.304 ( 0.000 -21.345 -3.637) 21.652 13.304 ( 0.000 21.345 -3.637) 21.652 14.161 ( 0.000 -8.174 -10.633) 13.412 14.161 ( 0.000 8.174 -10.633) 13.412 ======================= Grid point 541 (176/270) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.610 ( -0.358 -13.816 13.868) 19.578 4.610 ( -0.358 13.816 13.868) 19.578 4.678 ( -5.863 -12.224 8.610) 16.060 4.678 ( -5.863 12.224 8.610) 16.060 6.064 ( 0.781 -6.846 17.714) 19.007 6.064 ( 0.781 6.846 17.714) 19.007 7.841 ( -1.674 -2.446 -3.127) 4.309 7.841 ( -1.674 2.446 -3.127) 4.309 9.975 ( -7.228 -7.375 19.923) 22.440 9.975 ( -7.228 7.375 19.923) 22.440 10.352 ( 5.421 -4.833 20.139) 21.409 10.352 ( 5.421 4.833 20.139) 21.409 12.582 ( -2.189 -13.485 -1.916) 13.795 12.582 ( -2.189 13.485 -1.916) 13.795 13.358 ( 5.281 -20.090 -3.723) 21.104 13.358 ( 5.281 20.090 -3.723) 21.104 14.176 ( 1.405 -7.657 -9.894) 12.589 14.176 ( 1.405 7.657 -9.894) 12.589 ======================= Grid point 543 (177/270) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.431 ( -12.111 -16.869 8.783) 22.547 4.431 ( -12.111 16.869 8.783) 22.547 4.729 ( 6.438 -11.456 9.807) 16.397 4.729 ( 6.438 11.456 9.807) 16.397 6.049 ( -2.928 -3.046 14.559) 15.160 6.049 ( -2.928 3.046 14.559) 15.160 7.794 ( -2.958 -1.016 -3.336) 4.573 7.794 ( -2.958 1.016 -3.336) 4.573 9.823 ( -7.661 -5.724 17.878) 20.275 9.823 ( -7.661 5.724 17.878) 20.275 10.464 ( 5.793 -6.234 22.966) 24.492 10.464 ( 5.793 6.234 22.966) 24.492 12.524 ( -3.585 -12.511 -0.458) 13.023 12.524 ( -3.585 12.511 -0.458) 13.023 13.499 ( 8.722 -16.969 -3.921) 19.478 13.499 ( 8.722 16.969 -3.921) 19.478 14.207 ( 1.484 -6.241 -7.958) 10.221 14.207 ( 1.484 6.241 -7.958) 10.221 ======================= Grid point 545 (178/270) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( -9.852 -14.790 4.292) 18.282 4.209 ( -9.852 14.790 4.292) 18.282 4.892 ( 10.015 -11.185 8.199) 17.106 4.892 ( 10.015 11.185 8.199) 17.106 5.937 ( -8.483 -1.424 11.668) 14.496 5.937 ( -8.483 1.424 11.668) 14.496 7.732 ( -3.173 -0.548 -3.288) 4.602 7.732 ( -3.173 0.548 -3.288) 4.602 9.688 ( -5.908 -4.493 16.829) 18.393 9.688 ( -5.908 4.493 16.829) 18.393 10.575 ( 5.303 -5.971 24.718) 25.976 10.575 ( 5.303 5.971 24.718) 25.976 12.449 ( -3.823 -10.161 1.240) 10.927 12.449 ( -3.823 10.161 1.240) 10.927 13.684 ( 9.579 -12.896 -4.341) 16.641 13.684 ( 9.579 12.896 -4.341) 16.641 14.224 ( 0.022 -4.362 -5.394) 6.937 14.224 ( 0.022 4.362 -5.394) 6.937 ======================= Grid point 547 (179/270) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( -5.169 -8.743 0.402) 10.164 4.059 ( -5.169 8.743 0.402) 10.164 5.114 ( 12.211 -9.655 5.249) 16.428 5.114 ( 12.211 9.655 5.249) 16.428 5.728 ( -12.027 -4.578 11.068) 16.974 5.728 ( -12.027 4.578 11.068) 16.974 7.679 ( -2.021 -0.726 -3.057) 3.736 7.679 ( -2.021 0.726 -3.057) 3.736 9.598 ( -3.139 -2.585 16.307) 16.807 9.598 ( -3.139 2.585 16.307) 16.807 10.663 ( 3.401 -3.807 25.585) 26.089 10.663 ( 3.401 3.807 25.585) 26.089 12.383 ( -2.567 -5.906 2.568) 6.933 12.383 ( -2.567 5.906 2.568) 6.933 13.856 ( 7.445 -7.994 -5.491) 12.227 13.856 ( 7.445 7.994 -5.491) 12.227 14.206 ( -1.770 -2.768 -2.542) 4.154 14.206 ( -1.770 2.768 -2.542) 4.154 ======================= Grid point 549 (180/270) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 0.000 0.000 -1.150) 1.150 4.008 ( 0.000 0.000 -1.150) 1.150 5.295 ( -0.000 -0.000 -0.560) 0.560 5.295 ( 0.000 0.000 -0.560) 0.560 5.548 ( 0.000 0.000 15.565) 15.565 5.548 ( 0.000 0.000 15.565) 15.565 7.658 ( 0.000 0.000 -2.938) 2.938 7.658 ( 0.000 0.000 -2.938) 2.938 9.567 ( -0.000 0.000 16.142) 16.142 9.567 ( 0.000 0.000 16.142) 16.142 10.698 ( 0.000 0.000 25.828) 25.828 10.698 ( 0.000 0.000 25.828) 25.828 12.357 ( 0.000 -0.000 3.069) 3.069 12.357 ( 0.000 0.000 3.069) 3.069 13.941 ( 0.000 0.000 -7.046) 7.046 13.941 ( -0.000 0.000 -7.046) 7.046 14.178 ( -0.000 -0.000 -0.347) 0.347 14.178 ( 0.000 0.000 -0.347) 0.347 ======================= Grid point 594 (181/270) ======================= q-point: ( 0.00 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 0.000 0.000 18.655) 18.655 3.959 ( 0.000 0.000 10.106) 10.106 5.320 ( 0.000 0.000 1.673) 1.673 5.339 ( 0.000 0.000 0.016) 0.016 5.821 ( 0.000 0.000 23.255) 23.255 6.210 ( 0.000 0.000 11.988) 11.988 8.228 ( 0.000 0.000 -1.193) 1.193 8.349 ( 0.000 0.000 -4.398) 4.398 10.080 ( 0.000 0.000 14.692) 14.692 10.309 ( 0.000 0.000 11.158) 11.158 10.494 ( 0.000 0.000 22.022) 22.022 11.563 ( 0.000 0.000 -1.343) 1.343 11.894 ( 0.000 0.000 7.008) 7.008 11.910 ( 0.000 0.000 6.237) 6.237 13.201 ( 0.000 0.000 -1.159) 1.159 13.646 ( 0.000 0.000 3.887) 3.887 13.695 ( 0.000 0.000 -10.229) 10.229 14.730 ( 0.000 0.000 -16.222) 16.222 ======================= Grid point 595 (182/270) ======================= q-point: ( 0.10 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( 3.648 0.000 17.259) 17.641 3.829 ( -12.469 0.000 11.444) 16.925 5.225 ( -7.527 0.000 2.008) 7.790 5.259 ( -8.119 0.000 -0.840) 8.163 5.924 ( 7.973 0.000 19.748) 21.297 6.206 ( -0.464 0.000 11.758) 11.767 8.214 ( -1.429 0.000 -1.264) 1.907 8.301 ( -4.648 0.000 -3.868) 6.047 10.077 ( -0.109 0.000 13.958) 13.958 10.274 ( -2.733 0.000 11.353) 11.678 10.529 ( 2.808 0.000 22.085) 22.263 11.434 ( -9.938 0.000 6.496) 11.873 11.925 ( 1.579 0.000 5.332) 5.561 12.027 ( 9.891 0.000 -0.298) 9.896 13.236 ( 3.526 0.000 -0.904) 3.640 13.694 ( 4.794 0.000 3.903) 6.182 13.701 ( 0.560 0.000 -9.638) 9.654 14.722 ( -0.872 0.000 -15.410) 15.434 ======================= Grid point 596 (183/270) ======================= q-point: ( 0.20 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( -16.411 0.000 11.654) 20.128 3.586 ( 5.867 0.000 13.045) 14.303 5.029 ( -14.840 0.000 -2.398) 15.032 5.073 ( -7.798 0.000 0.831) 7.842 6.063 ( 5.386 0.000 15.371) 16.287 6.193 ( -0.817 0.000 11.154) 11.184 8.174 ( -2.574 0.000 -1.503) 2.981 8.187 ( -6.298 0.000 -2.729) 6.864 10.085 ( 1.042 0.000 12.755) 12.797 10.225 ( -1.882 0.000 11.202) 11.359 10.581 ( 2.182 0.000 22.932) 23.035 11.230 ( -10.389 0.000 13.714) 17.205 11.976 ( 3.701 0.000 3.006) 4.768 12.207 ( 7.616 0.000 -6.197) 9.818 13.334 ( 6.178 0.000 -0.450) 6.194 13.714 ( 0.622 0.000 -8.177) 8.201 13.826 ( 8.429 0.000 3.505) 9.129 14.693 ( -2.104 0.000 -13.221) 13.387 ======================= Grid point 597 (184/270) ======================= q-point: ( 0.30 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -9.152 0.000 6.973) 11.506 3.692 ( 3.671 0.000 5.325) 6.468 4.712 ( -15.896 0.000 -1.591) 15.975 4.914 ( -8.607 0.000 0.677) 8.633 6.130 ( 1.638 0.000 12.142) 12.252 6.175 ( -1.010 0.000 10.425) 10.474 8.075 ( -4.700 0.000 -1.824) 5.041 8.116 ( -3.254 0.000 -1.817) 3.727 10.121 ( 2.589 0.000 12.229) 12.500 10.207 ( -0.004 0.000 11.277) 11.277 10.614 ( 1.368 0.000 23.646) 23.685 11.032 ( -9.752 0.000 18.131) 20.587 12.067 ( 5.319 0.000 0.009) 5.319 12.310 ( 2.875 0.000 -8.379) 8.858 13.465 ( 6.784 0.000 -0.748) 6.825 13.721 ( 0.025 0.000 -6.430) 6.430 14.012 ( 10.219 0.000 2.166) 10.446 14.635 ( -3.862 0.000 -10.193) 10.900 ======================= Grid point 598 (185/270) ======================= q-point: ( 0.40 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( 4.396 0.000 -1.079) 4.526 3.657 ( -8.622 0.000 -5.570) 10.265 4.500 ( -3.463 0.000 4.031) 5.314 4.734 ( -9.473 0.000 2.219) 9.729 6.143 ( 0.065 0.000 10.375) 10.375 6.156 ( -0.841 0.000 9.878) 9.914 8.012 ( -1.637 0.000 -1.573) 2.270 8.053 ( -2.947 0.000 -1.933) 3.524 10.177 ( 2.797 0.000 12.188) 12.505 10.218 ( 0.709 0.000 11.585) 11.607 10.646 ( 2.258 0.000 23.678) 23.786 10.853 ( -8.238 0.000 20.870) 22.437 12.175 ( 5.438 0.000 -3.081) 6.250 12.324 ( -1.251 0.000 -7.867) 7.965 13.586 ( 5.296 0.000 -1.878) 5.619 13.711 ( -1.231 0.000 -4.768) 4.925 14.214 ( 10.035 0.000 -0.228) 10.038 14.538 ( -6.063 0.000 -6.807) 9.116 ======================= Grid point 599 (186/270) ======================= q-point: (-0.50 0.00 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.406 ( -13.912 0.000 -7.432) 15.772 3.406 ( 13.912 0.000 -7.432) 15.772 4.560 ( -7.488 0.000 4.708) 8.845 4.560 ( 7.488 0.000 4.708) 8.845 6.144 ( -0.278 0.000 9.767) 9.771 6.144 ( 0.278 0.000 9.767) 9.771 8.009 ( -1.227 0.000 -1.760) 2.146 8.009 ( 1.227 0.000 -1.760) 2.146 10.217 ( -1.031 0.000 11.978) 12.023 10.217 ( 1.031 0.000 11.978) 12.023 10.718 ( -5.310 0.000 22.722) 23.334 10.718 ( 5.310 0.000 22.722) 23.334 12.270 ( -4.027 0.000 -5.856) 7.107 12.270 ( 4.027 0.000 -5.856) 7.107 13.669 ( -3.109 0.000 -3.270) 4.512 13.669 ( 3.109 0.000 -3.270) 4.512 14.397 ( -8.354 0.000 -3.374) 9.010 14.397 ( 8.354 0.000 -3.374) 9.010 ======================= Grid point 605 (187/270) ======================= q-point: ( 0.00 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.659 ( 0.000 17.925 16.669) 24.477 4.070 ( 0.000 9.882 10.200) 14.202 5.290 ( 0.000 -2.912 2.857) 4.079 5.313 ( 0.000 -2.266 0.848) 2.419 5.868 ( 0.000 4.385 22.584) 23.006 6.248 ( 0.000 3.428 11.600) 12.096 8.151 ( 0.000 -6.732 -1.101) 6.821 8.281 ( 0.000 -6.177 -4.279) 7.515 10.110 ( 0.000 2.498 14.814) 15.023 10.327 ( 0.000 1.789 11.128) 11.271 10.498 ( 0.000 0.695 21.245) 21.256 11.417 ( 0.000 -11.644 4.920) 12.640 11.948 ( 0.000 4.972 6.187) 7.937 12.015 ( 0.000 8.047 0.407) 8.057 13.285 ( 0.000 6.747 -1.280) 6.867 13.603 ( 0.000 -3.366 3.345) 4.745 13.726 ( 0.000 2.531 -9.722) 10.046 14.614 ( 0.000 -10.539 -15.838) 19.024 ======================= Grid point 606 (188/270) ======================= q-point: ( 0.10 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 3.203 17.603 15.464) 23.649 3.937 ( -12.632 9.763 11.548) 19.704 5.166 ( -9.191 -3.384 2.049) 10.006 5.287 ( -4.481 0.177 0.270) 4.493 5.955 ( 6.954 3.089 19.673) 21.094 6.231 ( -1.668 2.445 11.520) 11.894 8.137 ( -1.447 -6.636 -1.311) 6.917 8.237 ( -4.156 -5.837 -3.722) 8.074 10.075 ( -2.872 0.061 13.486) 13.789 10.330 ( 0.077 4.842 11.884) 12.832 10.518 ( 1.772 -0.877 21.360) 21.451 11.355 ( -5.589 -7.363 8.712) 12.703 11.955 ( 1.150 3.767 5.845) 7.049 12.094 ( 6.635 5.607 -3.184) 9.252 13.321 ( 3.648 6.883 -0.752) 7.827 13.644 ( 3.895 -3.740 2.718) 6.045 13.739 ( 1.422 2.863 -8.744) 9.310 14.611 ( -0.396 -10.095 -15.028) 18.108 ======================= Grid point 607 (189/270) ======================= q-point: ( 0.20 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -16.521 9.650 11.914) 22.539 3.779 ( 5.113 16.647 11.483) 20.860 4.947 ( -13.248 -3.825 0.089) 13.790 5.166 ( -7.129 4.224 -0.950) 8.341 6.077 ( 4.595 1.453 15.203) 15.949 6.188 ( -2.499 -0.109 11.332) 11.605 8.088 ( -3.832 -6.639 -2.241) 7.987 8.143 ( -4.455 -4.881 -2.081) 6.929 10.023 ( -1.940 -3.361 12.036) 12.646 10.325 ( -0.688 6.335 12.222) 13.783 10.557 ( 2.118 -1.540 21.969) 22.125 11.225 ( -7.241 -1.044 14.400) 16.152 12.000 ( 3.430 2.547 3.951) 5.819 12.228 ( 6.181 2.384 -7.395) 9.928 13.421 ( 6.296 7.227 0.108) 9.585 13.725 ( 2.992 -1.293 -3.118) 4.511 13.802 ( 5.993 0.243 -2.220) 6.396 14.595 ( -1.401 -9.005 -12.872) 15.771 ======================= Grid point 608 (190/270) ======================= q-point: ( 0.30 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -9.434 9.218 7.330) 15.090 3.866 ( 2.140 15.115 3.848) 15.743 4.669 ( -13.265 -2.304 0.754) 13.485 5.017 ( -8.199 7.460 -0.817) 11.115 6.124 ( 0.057 -0.868 11.497) 11.530 6.144 ( -1.449 -2.117 11.228) 11.517 8.002 ( -4.073 -6.090 -2.232) 7.659 8.070 ( -3.488 -4.581 -1.573) 5.969 10.013 ( 1.019 -5.689 11.744) 13.089 10.298 ( -2.111 2.855 12.434) 12.931 10.605 ( 2.972 1.006 22.264) 22.484 11.078 ( -7.632 3.464 18.230) 20.064 12.086 ( 5.140 1.844 1.161) 5.583 12.317 ( 2.667 1.096 -8.604) 9.074 13.553 ( 6.668 7.463 -0.063) 10.008 13.760 ( 1.023 2.734 -5.144) 5.914 13.961 ( 9.353 -3.899 0.242) 10.136 14.550 ( -3.240 -7.792 -9.966) 13.059 ======================= Grid point 609 (191/270) ======================= q-point: ( 0.40 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 3.966 8.433 -0.358) 9.326 3.779 ( -11.732 10.152 -6.499) 16.821 4.533 ( 0.898 4.017 5.682) 7.016 4.840 ( -9.670 8.922 1.125) 13.205 6.106 ( -0.727 -3.920 10.186) 10.938 6.125 ( -1.107 -2.101 10.169) 10.442 7.948 ( -1.226 -5.535 -1.860) 5.967 8.002 ( -3.195 -4.671 -1.777) 5.932 10.062 ( 3.784 -6.545 12.133) 14.296 10.239 ( -3.958 -2.271 12.740) 13.532 10.681 ( 4.808 4.453 21.976) 22.932 10.929 ( -7.393 5.840 20.367) 22.441 12.191 ( 5.282 1.477 -1.889) 5.801 12.332 ( -1.035 1.010 -7.352) 7.493 13.669 ( 4.867 7.159 -1.238) 8.745 13.767 ( -0.397 4.724 -4.028) 6.220 14.151 ( 9.633 -5.495 -1.225) 11.158 14.463 ( -5.678 -6.862 -6.833) 11.226 ======================= Grid point 610 (192/270) ======================= q-point: (-0.50 0.12 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( -14.266 7.781 -6.671) 17.566 3.494 ( 14.266 7.781 -6.671) 17.566 4.650 ( -9.042 8.312 4.291) 13.010 4.650 ( 9.042 8.312 4.291) 13.010 6.106 ( -0.652 -3.526 9.781) 10.418 6.106 ( 0.652 -3.526 9.781) 10.418 7.953 ( -1.595 -5.037 -1.811) 5.585 7.953 ( 1.595 -5.037 -1.811) 5.585 10.150 ( -4.833 -5.564 12.606) 14.602 10.150 ( 4.833 -5.564 12.606) 14.602 10.792 ( -6.442 6.184 21.438) 23.223 10.792 ( 6.442 6.184 21.438) 23.223 12.283 ( -3.807 1.233 -4.858) 6.294 12.283 ( 3.807 1.233 -4.858) 6.294 13.740 ( -2.434 6.198 -2.646) 7.165 13.740 ( 2.434 6.198 -2.646) 7.165 14.327 ( -8.109 -6.236 -3.800) 10.913 14.327 ( 8.109 -6.236 -3.800) 10.913 ======================= Grid point 616 (193/270) ======================= q-point: ( 0.00 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.109 ( 0.000 21.986 13.118) 25.602 4.341 ( 0.000 14.663 9.782) 17.627 5.197 ( 0.000 -5.686 5.840) 8.151 5.249 ( 0.000 -3.820 2.574) 4.606 6.007 ( 0.000 8.705 21.036) 22.766 6.343 ( 0.000 4.995 11.279) 12.335 7.978 ( 0.000 -8.606 -1.205) 8.689 8.108 ( 0.000 -9.443 -4.001) 10.256 10.175 ( 0.000 3.692 15.661) 16.091 10.385 ( 0.000 3.630 11.317) 11.885 10.533 ( 0.000 2.435 18.813) 18.970 11.125 ( 0.000 -15.188 11.096) 18.810 12.098 ( 0.000 8.883 3.735) 9.637 12.216 ( 0.000 10.625 -5.678) 12.047 13.352 ( 0.000 -3.972 3.844) 5.527 13.610 ( 0.000 7.110 -2.934) 7.691 13.767 ( 0.000 -0.197 -8.013) 8.016 14.318 ( 0.000 -15.690 -14.759) 21.541 ======================= Grid point 617 (194/270) ======================= q-point: ( 0.10 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( 1.908 21.084 12.048) 24.358 4.214 ( -11.720 15.871 11.290) 22.732 5.096 ( -8.545 -3.319 3.595) 9.847 5.237 ( -1.928 -5.045 2.756) 6.064 6.063 ( 4.422 7.019 18.641) 20.404 6.308 ( -3.517 4.532 11.104) 12.499 7.967 ( -1.156 -8.453 -1.541) 8.669 8.071 ( -3.429 -9.070 -3.491) 10.306 10.093 ( -6.168 1.939 13.254) 14.747 10.456 ( 3.651 6.468 12.693) 14.706 10.498 ( -1.727 -1.111 19.227) 19.336 11.143 ( 1.507 -11.699 13.068) 17.604 12.091 ( -0.312 8.685 4.232) 9.667 12.252 ( 3.279 9.168 -7.343) 12.195 13.390 ( 3.843 -4.196 4.413) 7.201 13.644 ( 3.248 7.072 -3.369) 8.480 13.789 ( 2.221 0.352 -7.461) 7.792 14.327 ( 0.775 -15.061 -13.940) 20.537 ======================= Grid point 618 (195/270) ======================= q-point: ( 0.20 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.906 ( -16.534 15.417 11.181) 25.221 4.209 ( 4.061 21.647 8.996) 23.791 4.879 ( -13.124 -2.931 1.915) 13.583 5.197 ( -1.782 -1.915 0.839) 2.747 6.131 ( 1.673 3.656 14.037) 14.602 6.211 ( -5.922 2.741 11.284) 13.035 7.925 ( -3.403 -8.055 -2.755) 9.168 7.996 ( -3.651 -8.343 -1.856) 9.294 9.980 ( -4.775 -0.390 11.737) 12.677 10.386 ( -5.871 -2.153 15.029) 16.278 10.587 ( 5.974 5.501 18.035) 19.779 11.164 ( 0.120 -4.856 16.213) 16.925 12.099 ( 1.375 6.969 4.100) 8.202 12.325 ( 3.676 6.817 -9.040) 11.904 13.499 ( 7.102 -4.502 4.966) 9.766 13.727 ( 4.827 7.031 -4.161) 9.490 13.850 ( 3.868 1.500 -6.108) 7.383 14.340 ( 0.313 -13.532 -11.837) 17.981 ======================= Grid point 619 (196/270) ======================= q-point: ( 0.30 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( -10.250 15.299 7.114) 19.741 4.241 ( -4.220 17.131 -0.489) 17.650 4.651 ( -6.144 1.494 5.742) 8.541 5.157 ( -2.920 4.356 -0.827) 5.309 6.078 ( -5.698 -1.753 10.897) 12.422 6.136 ( -2.354 0.693 11.378) 11.639 7.849 ( -3.539 -7.569 -2.815) 8.816 7.931 ( -3.192 -7.854 -1.386) 8.590 9.920 ( -1.166 -2.766 11.545) 11.929 10.262 ( -6.570 -5.290 14.253) 16.561 10.704 ( 5.990 7.281 19.344) 21.520 11.138 ( -2.816 1.414 18.267) 18.536 12.149 ( 3.687 4.434 2.726) 6.378 12.379 ( 1.510 4.814 -8.169) 9.602 13.657 ( 8.571 -3.527 3.853) 10.037 13.819 ( 4.229 7.280 -4.304) 9.455 13.936 ( 4.805 1.393 -4.806) 6.938 14.329 ( -1.644 -11.773 -9.165) 15.010 ======================= Grid point 620 (197/270) ======================= q-point: ( 0.40 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( 1.975 13.385 0.520) 13.540 4.002 ( -16.610 8.790 -6.829) 19.995 4.701 ( 8.215 11.840 7.254) 16.133 5.062 ( -6.983 10.706 -0.094) 12.782 5.997 ( -1.927 -5.582 10.925) 12.419 6.071 ( -3.869 -2.864 9.645) 10.780 7.804 ( -0.864 -7.343 -2.278) 7.737 7.867 ( -3.202 -7.545 -1.701) 8.371 9.935 ( 2.643 -4.967 11.961) 13.218 10.133 ( -6.441 -6.655 13.433) 16.316 10.824 ( 6.201 8.051 20.000) 22.433 11.058 ( -5.110 5.595 19.409) 20.835 12.235 ( 4.743 2.761 0.501) 5.511 12.379 ( -1.546 3.300 -5.471) 6.574 13.811 ( 6.317 0.844 1.029) 6.455 13.882 ( 1.991 7.562 -3.385) 8.521 14.040 ( 5.847 -2.567 -4.110) 7.594 14.271 ( -4.358 -10.073 -6.536) 12.774 ======================= Grid point 621 (198/270) ======================= q-point: (-0.50 0.25 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -12.862 10.197 -4.970) 17.150 3.696 ( 12.862 10.197 -4.970) 17.150 4.890 ( -9.966 13.416 3.323) 17.040 4.890 ( 9.966 13.416 3.323) 17.040 6.005 ( -2.373 -5.664 9.889) 11.641 6.005 ( 2.373 -5.664 9.889) 11.641 7.815 ( -1.838 -7.366 -1.961) 7.841 7.815 ( 1.838 -7.366 -1.961) 7.841 10.016 ( -5.268 -6.450 12.632) 15.130 10.016 ( 5.268 -6.450 12.632) 15.130 10.946 ( -6.112 7.636 19.988) 22.253 10.946 ( 6.112 7.636 19.988) 22.253 12.323 ( -3.902 2.485 -2.333) 5.181 12.323 ( 3.902 2.485 -2.333) 5.181 13.888 ( -1.605 5.989 -1.753) 6.443 13.888 ( 1.605 5.989 -1.753) 6.443 14.163 ( -6.316 -7.642 -4.544) 10.906 14.163 ( 6.316 -7.642 -4.544) 10.906 ======================= Grid point 627 (199/270) ======================= q-point: ( 0.00 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.520 ( 0.000 15.962 10.252) 18.971 4.647 ( 0.000 13.039 7.267) 14.927 5.057 ( 0.000 -7.071 9.993) 12.242 5.144 ( 0.000 -6.219 5.598) 8.368 6.221 ( 0.000 10.496 18.306) 21.102 6.428 ( 0.000 2.115 12.434) 12.612 7.826 ( 0.000 -4.926 -2.016) 5.323 7.912 ( 0.000 -8.200 -3.706) 8.998 10.282 ( 0.000 6.884 16.687) 18.052 10.470 ( 0.000 3.827 12.551) 13.122 10.579 ( 0.000 1.326 15.764) 15.820 10.800 ( 0.000 -14.704 14.233) 20.465 12.311 ( 0.000 10.664 -0.377) 10.671 12.442 ( 0.000 9.264 -10.441) 13.959 13.222 ( 0.000 -4.837 6.532) 8.128 13.617 ( 0.000 -14.761 -5.224) 15.658 13.805 ( 0.000 9.051 -6.646) 11.229 14.066 ( 0.000 -6.458 -12.244) 13.843 ======================= Grid point 628 (200/270) ======================= q-point: ( 0.10 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( -6.367 15.122 9.341) 18.881 4.576 ( -2.111 15.387 8.865) 17.883 5.015 ( -6.236 -4.627 6.471) 10.108 5.081 ( -3.131 -9.210 6.802) 11.870 6.238 ( 1.009 8.718 16.297) 18.510 6.394 ( -3.516 2.663 11.746) 12.547 7.815 ( -1.098 -5.087 -2.240) 5.666 7.884 ( -2.628 -7.729 -3.344) 8.821 10.170 ( -8.196 5.456 13.488) 16.700 10.450 ( -7.708 -4.167 15.917) 18.169 10.590 ( 6.603 6.137 14.339) 16.937 10.900 ( 7.232 -10.317 16.304) 20.605 12.303 ( -0.770 10.680 0.153) 10.709 12.456 ( 1.292 8.367 -10.150) 13.217 13.258 ( 3.736 -4.587 5.835) 8.309 13.652 ( 3.436 -14.140 -5.089) 15.416 13.839 ( 3.234 8.932 -6.283) 11.390 14.087 ( 1.950 -5.960 -11.421) 13.029 ======================= Grid point 629 (201/270) ======================= q-point: ( 0.20 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.250 ( -15.633 16.239 8.833) 24.210 4.608 ( 0.807 13.411 4.625) 14.209 4.807 ( -10.795 -3.311 6.706) 13.133 5.091 ( 2.788 -7.261 5.116) 9.310 6.226 ( -3.107 4.977 11.844) 13.218 6.289 ( -6.882 3.395 11.077) 13.476 7.777 ( -2.970 -5.161 -3.135) 6.729 7.824 ( -3.067 -6.989 -2.043) 7.901 10.014 ( -7.119 3.696 11.847) 14.307 10.282 ( -8.626 -6.640 14.250) 17.932 10.731 ( 7.207 7.163 17.532) 20.264 11.033 ( 5.899 -6.974 17.988) 20.174 12.287 ( -0.702 10.119 1.194) 10.214 12.482 ( 0.941 5.914 -8.513) 10.408 13.368 ( 7.425 -3.845 3.687) 9.138 13.743 ( 5.530 -12.651 -4.940) 14.664 13.920 ( 4.634 8.586 -5.218) 11.064 14.132 ( 2.270 -4.515 -9.249) 10.540 ======================= Grid point 630 (202/270) ======================= q-point: ( 0.30 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( -11.606 15.955 5.233) 20.412 4.416 ( -16.012 -1.530 -2.852) 16.336 4.809 ( 7.299 12.244 9.486) 17.122 5.167 ( 4.462 -3.292 2.621) 6.133 6.087 ( -9.797 2.541 9.441) 13.841 6.159 ( -6.835 0.955 10.234) 12.343 7.711 ( -3.187 -4.752 -3.058) 6.487 7.767 ( -2.890 -6.837 -1.640) 7.602 9.904 ( -3.903 1.422 11.518) 12.244 10.121 ( -7.596 -7.240 13.301) 16.941 10.868 ( 6.720 7.687 19.076) 21.637 11.121 ( 2.866 -3.038 18.755) 19.214 12.284 ( 0.641 8.050 1.929) 8.303 12.482 ( -0.996 3.155 -5.404) 6.336 13.540 ( 9.673 -3.310 0.553) 10.239 13.853 ( 5.188 -11.074 -5.467) 13.395 14.006 ( 3.921 8.025 -3.418) 9.563 14.164 ( 0.863 -2.209 -6.278) 6.711 ======================= Grid point 631 (203/270) ======================= q-point: ( 0.40 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( -2.185 12.653 0.144) 12.841 4.108 ( -14.296 1.021 -4.287) 14.960 4.986 ( 10.005 13.218 6.187) 17.694 5.234 ( 1.135 4.050 0.646) 4.255 5.911 ( -6.516 -1.490 10.886) 12.775 6.009 ( -7.919 -3.012 9.092) 12.427 7.667 ( -1.097 -4.854 -2.518) 5.577 7.711 ( -2.699 -6.453 -1.889) 7.245 9.865 ( -0.102 -1.405 11.684) 11.769 9.988 ( -5.841 -6.387 12.594) 15.281 10.993 ( 5.849 7.381 19.527) 21.679 11.141 ( -0.846 1.670 19.085) 19.177 12.316 ( 2.540 4.835 1.792) 5.748 12.443 ( -2.882 1.700 -2.100) 3.950 13.729 ( 9.032 -3.895 -2.696) 10.199 13.921 ( 0.889 -9.027 -6.768) 11.318 14.073 ( 3.044 6.351 -1.136) 7.134 14.163 ( -0.999 0.708 -3.169) 3.398 ======================= Grid point 632 (204/270) ======================= q-point: (-0.50 0.38 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( -7.628 6.859 -3.553) 10.856 3.886 ( 7.628 6.859 -3.553) 10.856 5.170 ( -7.508 11.526 2.336) 13.952 5.170 ( 7.508 11.526 2.336) 13.952 5.883 ( -3.659 -5.262 10.329) 12.156 5.883 ( 3.659 -5.262 10.329) 12.156 7.669 ( -1.279 -5.615 -2.164) 6.152 7.669 ( 1.279 -5.615 -2.164) 6.152 9.897 ( -3.280 -4.263 12.055) 13.200 9.897 ( 3.280 -4.263 12.055) 13.200 11.092 ( -3.984 5.482 19.377) 20.528 11.092 ( 3.984 5.482 19.377) 20.528 12.378 ( -3.519 2.291 0.438) 4.222 12.378 ( 3.519 2.291 0.438) 4.222 13.875 ( -5.327 -5.844 -5.594) 9.686 13.875 ( 5.327 -5.844 -5.594) 9.686 14.128 ( -2.431 3.376 -1.124) 4.309 14.128 ( 2.431 3.376 -1.124) 4.309 ======================= Grid point 638 (205/270) ======================= q-point: ( 0.00 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( 0.000 -5.936 5.319) 7.970 4.771 ( 0.000 5.936 5.319) 7.970 4.998 ( 0.000 -5.469 11.771) 12.980 4.998 ( 0.000 5.469 11.771) 12.980 6.399 ( 0.000 -5.208 15.111) 15.984 6.399 ( 0.000 5.208 15.111) 15.984 7.794 ( 0.000 -2.246 -3.139) 3.859 7.794 ( 0.000 2.246 -3.139) 3.859 10.464 ( 0.000 -8.290 17.029) 18.940 10.464 ( 0.000 8.290 17.029) 18.940 10.588 ( 0.000 -1.367 12.948) 13.020 10.588 ( 0.000 1.367 12.948) 13.020 12.500 ( 0.000 -4.972 -7.188) 8.740 12.500 ( 0.000 4.972 -7.188) 8.740 13.286 ( 0.000 -12.076 1.268) 12.142 13.286 ( 0.000 12.076 1.268) 12.142 13.960 ( 0.000 -5.473 -9.124) 10.640 13.960 ( 0.000 5.473 -9.124) 10.640 ======================= Grid point 640 (206/270) ======================= q-point: ( 0.10 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.761 ( -2.978 -4.073 3.791) 6.311 4.761 ( -2.978 4.073 3.791) 6.311 4.917 ( -5.446 -0.291 12.464) 13.605 4.917 ( -5.446 0.291 12.464) 13.605 6.385 ( -1.869 -4.029 13.726) 14.427 6.385 ( -1.869 4.029 13.726) 14.427 7.777 ( -1.707 -1.782 -3.050) 3.923 7.777 ( -1.707 1.782 -3.050) 3.923 10.316 ( -9.703 -7.614 13.964) 18.631 10.316 ( -9.703 7.614 13.964) 18.631 10.723 ( 8.511 -6.726 16.342) 19.614 10.723 ( 8.511 6.726 16.342) 19.614 12.496 ( -0.437 -5.496 -6.142) 8.254 12.496 ( -0.437 5.496 -6.142) 8.254 13.329 ( 4.307 -12.060 0.464) 12.814 13.329 ( 4.307 12.060 0.464) 12.814 13.990 ( 2.802 -5.177 -8.452) 10.300 13.990 ( 2.802 5.177 -8.452) 10.300 ======================= Grid point 642 (207/270) ======================= q-point: ( 0.20 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.562 ( -14.774 -12.167 4.369) 19.632 4.562 ( -14.774 12.167 4.369) 19.632 4.918 ( 4.236 -8.951 8.903) 13.316 4.918 ( 4.236 8.951 8.903) 13.316 6.310 ( -6.031 -1.890 10.948) 12.641 6.310 ( -6.031 1.890 10.948) 12.641 7.731 ( -2.831 -1.209 -2.787) 4.152 7.731 ( -2.831 1.209 -2.787) 4.152 10.131 ( -8.793 -6.902 12.616) 16.856 10.131 ( -8.793 6.902 12.616) 16.856 10.882 ( 7.624 -7.094 18.312) 21.066 10.882 ( 7.624 7.094 18.312) 21.066 12.481 ( -1.196 -6.317 -3.668) 7.402 12.481 ( -1.196 6.317 -3.668) 7.402 13.447 ( 7.415 -11.372 -1.425) 13.651 13.447 ( 7.415 11.372 -1.425) 13.651 14.058 ( 3.838 -4.351 -6.648) 8.823 14.058 ( 3.838 4.351 -6.648) 8.823 ======================= Grid point 644 (208/270) ======================= q-point: ( 0.30 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.268 ( -14.027 -11.310 1.711) 18.100 4.268 ( -14.027 11.310 1.711) 18.100 5.039 ( 7.668 -8.502 6.492) 13.162 5.039 ( 7.668 8.502 6.492) 13.162 6.149 ( -10.015 -2.198 9.014) 13.653 6.149 ( -10.015 2.198 9.014) 13.653 7.673 ( -2.923 -1.481 -2.486) 4.113 7.673 ( -2.923 1.481 -2.486) 4.113 9.980 ( -6.432 -5.524 12.054) 14.737 9.980 ( -6.432 5.524 12.054) 14.737 11.019 ( 6.152 -6.242 19.192) 21.098 11.019 ( 6.152 6.242 19.192) 21.098 12.451 ( -1.729 -6.067 -0.998) 6.387 12.451 ( -1.729 6.067 -0.998) 6.387 13.603 ( 8.009 -9.241 -3.641) 12.759 13.603 ( 8.009 9.241 -3.641) 12.759 14.127 ( 2.859 -3.190 -4.141) 5.958 14.127 ( 2.859 3.190 -4.141) 5.958 ======================= Grid point 646 (209/270) ======================= q-point: ( 0.40 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( -8.159 -6.925 -1.619) 10.824 4.044 ( -8.159 6.925 -1.619) 10.824 5.204 ( 8.425 -6.511 3.951) 11.357 5.204 ( 8.425 6.511 3.951) 11.357 5.940 ( -10.249 -3.236 9.296) 14.210 5.940 ( -10.249 3.236 9.296) 14.210 7.624 ( -1.855 -1.157 -2.315) 3.184 7.624 ( -1.855 1.157 -2.315) 3.184 9.883 ( -3.365 -3.119 11.818) 12.678 9.883 ( -3.365 3.119 11.818) 12.678 11.117 ( 3.635 -3.833 19.321) 20.030 11.117 ( 3.635 3.833 19.321) 20.030 12.419 ( -1.342 -3.872 0.990) 4.216 12.419 ( -1.342 3.872 0.990) 4.216 13.741 ( 5.430 -5.457 -5.864) 9.677 13.741 ( 5.430 5.457 -5.864) 9.677 14.165 ( 1.078 -1.841 -1.479) 2.596 14.165 ( 1.078 1.841 -1.479) 2.596 ======================= Grid point 648 (210/270) ======================= q-point: (-0.50 -0.50 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( 0.000 0.000 -3.072) 3.072 3.962 ( 0.000 0.000 -3.072) 3.072 5.309 ( -0.000 -0.000 1.604) 1.604 5.309 ( 0.000 0.000 1.604) 1.604 5.816 ( 0.000 0.000 10.969) 10.969 5.816 ( 0.000 0.000 10.969) 10.969 7.605 ( 0.000 0.000 -2.273) 2.273 7.605 ( 0.000 0.000 -2.273) 2.273 9.850 ( -0.000 0.000 11.747) 11.747 9.850 ( 0.000 0.000 11.747) 11.747 11.154 ( 0.000 0.000 19.262) 19.262 11.154 ( 0.000 0.000 19.262) 19.262 12.405 ( 0.000 -0.000 1.734) 1.734 12.405 ( 0.000 0.000 1.734) 1.734 13.797 ( 0.000 0.000 -7.056) 7.056 13.797 ( -0.000 0.000 -7.056) 7.056 14.174 ( -0.000 -0.000 -0.087) 0.087 14.174 ( 0.000 0.000 -0.087) 0.087 ======================= Grid point 693 (211/270) ======================= q-point: ( 0.00 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 0.000 0.000 13.535) 13.535 4.091 ( 0.000 0.000 3.250) 3.250 5.342 ( 0.000 0.000 0.319) 0.319 5.351 ( 0.000 0.000 1.159) 1.159 6.205 ( 0.000 0.000 14.793) 14.793 6.404 ( 0.000 0.000 6.976) 6.976 8.205 ( 0.000 0.000 -0.928) 0.928 8.268 ( 0.000 0.000 -3.462) 3.462 10.334 ( 0.000 0.000 10.309) 10.309 10.481 ( 0.000 0.000 5.855) 5.855 10.882 ( 0.000 0.000 16.546) 16.546 11.503 ( 0.000 0.000 -4.678) 4.678 12.010 ( 0.000 0.000 4.353) 4.353 12.014 ( 0.000 0.000 3.998) 3.998 13.202 ( 0.000 0.000 1.260) 1.260 13.505 ( 0.000 0.000 -8.482) 8.482 13.748 ( 0.000 0.000 6.419) 6.419 14.413 ( 0.000 0.000 -14.954) 14.954 ======================= Grid point 694 (212/270) ======================= q-point: ( 0.10 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.787 ( 0.725 0.000 12.081) 12.103 3.994 ( -9.859 0.000 5.061) 11.082 5.246 ( -9.460 0.000 -0.308) 9.465 5.254 ( -8.492 0.000 0.821) 8.532 6.252 ( 3.721 0.000 12.607) 13.144 6.397 ( -0.770 0.000 6.948) 6.991 8.190 ( -1.583 0.000 -1.010) 1.877 8.231 ( -3.541 0.000 -2.848) 4.544 10.317 ( -1.297 0.000 9.708) 9.794 10.448 ( -2.741 0.000 5.893) 6.499 10.922 ( 3.489 0.000 16.895) 17.251 11.496 ( -1.134 0.000 -0.596) 1.281 12.011 ( -0.227 0.000 3.104) 3.112 12.029 ( 1.911 0.000 0.628) 2.012 13.239 ( 3.685 0.000 1.233) 3.886 13.523 ( 1.637 0.000 -7.959) 8.126 13.795 ( 4.548 0.000 6.195) 7.686 14.421 ( 0.794 0.000 -14.112) 14.135 ======================= Grid point 695 (213/270) ======================= q-point: ( 0.20 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -16.674 0.000 7.846) 18.427 3.794 ( -0.510 0.000 7.337) 7.355 4.995 ( -15.004 0.000 -0.681) 15.020 5.074 ( -9.054 0.000 -0.779) 9.087 6.312 ( 1.885 0.000 9.303) 9.492 6.375 ( -1.371 0.000 6.753) 6.891 8.143 ( -5.056 0.000 -1.599) 5.303 8.145 ( -2.887 0.000 -1.269) 3.154 10.302 ( 0.104 0.000 8.699) 8.700 10.399 ( -1.796 0.000 6.002) 6.265 10.993 ( 3.251 0.000 17.909) 18.202 11.445 ( -4.034 0.000 6.984) 8.065 12.014 ( 0.739 0.000 0.707) 1.023 12.079 ( 2.916 0.000 -5.860) 6.545 13.335 ( 5.764 0.000 0.749) 5.812 13.562 ( 2.167 0.000 -6.754) 7.093 13.916 ( 7.463 0.000 5.401) 9.212 14.438 ( 0.744 0.000 -11.845) 11.868 ======================= Grid point 696 (214/270) ======================= q-point: ( 0.30 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -14.626 0.000 6.869) 16.158 3.733 ( -6.757 0.000 -1.116) 6.849 4.717 ( -11.513 0.000 2.080) 11.699 4.907 ( -7.977 0.000 -1.372) 8.095 6.324 ( -0.359 0.000 7.202) 7.211 6.346 ( -1.570 0.000 6.392) 6.582 8.049 ( -4.155 0.000 -0.751) 4.222 8.081 ( -3.455 0.000 -1.533) 3.780 10.327 ( 2.263 0.000 8.052) 8.364 10.386 ( 0.384 0.000 6.407) 6.418 11.044 ( 1.964 0.000 18.884) 18.986 11.345 ( -5.859 0.000 12.570) 13.869 12.041 ( 1.974 0.000 -2.504) 3.189 12.128 ( 1.758 0.000 -9.354) 9.518 13.451 ( 5.612 0.000 -0.414) 5.627 13.600 ( 1.548 0.000 -5.425) 5.642 14.073 ( 8.184 0.000 3.761) 9.007 14.443 ( -0.440 0.000 -8.737) 8.748 ======================= Grid point 697 (215/270) ======================= q-point: ( 0.40 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -3.476 0.000 1.254) 3.695 3.520 ( -13.754 0.000 -7.450) 15.642 4.592 ( -1.201 0.000 4.737) 4.887 4.758 ( -7.097 0.000 0.126) 7.098 6.311 ( -0.731 0.000 6.288) 6.330 6.318 ( -1.150 0.000 6.088) 6.195 7.989 ( -1.793 0.000 -0.681) 1.918 8.018 ( -2.783 0.000 -1.482) 3.153 10.378 ( 2.592 0.000 7.690) 8.115 10.405 ( 1.124 0.000 6.906) 6.997 11.079 ( 1.950 0.000 19.145) 19.244 11.228 ( -5.697 0.000 16.095) 17.074 12.085 ( 2.308 0.000 -5.754) 6.200 12.144 ( -0.145 0.000 -9.816) 9.817 13.546 ( 3.933 0.000 -1.789) 4.321 13.618 ( 0.140 0.000 -4.203) 4.205 14.225 ( 7.053 0.000 1.219) 7.158 14.415 ( -2.479 0.000 -5.325) 5.873 ======================= Grid point 698 (216/270) ======================= q-point: (-0.50 0.00 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -9.318 0.000 -5.377) 10.759 3.273 ( 9.318 0.000 -5.377) 10.759 4.637 ( -4.867 0.000 2.926) 5.678 4.637 ( 4.867 0.000 2.926) 5.678 6.304 ( -0.166 0.000 6.016) 6.019 6.304 ( 0.166 0.000 6.016) 6.019 7.980 ( -0.840 0.000 -1.085) 1.372 7.980 ( 0.840 0.000 -1.085) 1.372 10.413 ( -0.640 0.000 7.328) 7.355 10.413 ( 0.640 0.000 7.328) 7.355 11.133 ( -3.805 0.000 18.266) 18.658 11.133 ( 3.805 0.000 18.266) 18.658 12.125 ( -1.624 0.000 -8.382) 8.538 12.125 ( 1.624 0.000 -8.382) 8.538 13.602 ( -1.793 0.000 -3.040) 3.530 13.602 ( 1.793 0.000 -3.040) 3.530 14.343 ( -4.883 0.000 -1.924) 5.248 14.343 ( 4.883 0.000 -1.924) 5.248 ======================= Grid point 704 (217/270) ======================= q-point: ( 0.00 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 0.000 15.033 12.038) 19.259 4.207 ( 0.000 10.206 3.651) 10.839 5.329 ( 0.000 -1.091 0.877) 1.400 5.339 ( 0.000 -1.163 1.858) 2.192 6.242 ( 0.000 3.514 14.420) 14.842 6.436 ( 0.000 2.965 6.766) 7.387 8.131 ( 0.000 -6.563 -0.767) 6.608 8.201 ( 0.000 -6.035 -3.441) 6.947 10.361 ( 0.000 2.457 10.073) 10.369 10.499 ( 0.000 1.764 5.842) 6.103 10.877 ( 0.000 -0.313 16.296) 16.299 11.451 ( 0.000 -5.107 -1.674) 5.375 12.036 ( 0.000 2.336 1.689) 2.882 12.046 ( 0.000 3.306 3.407) 4.747 13.279 ( 0.000 6.733 0.829) 6.784 13.547 ( 0.000 3.564 -7.917) 8.682 13.693 ( 0.000 -4.896 5.694) 7.510 14.308 ( 0.000 -9.545 -14.290) 17.185 ======================= Grid point 705 (218/270) ======================= q-point: ( 0.10 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 0.526 14.882 10.647) 18.306 4.108 ( -10.020 10.149 5.498) 15.285 5.195 ( -10.550 -2.254 1.036) 10.838 5.296 ( -5.984 1.272 0.449) 6.134 6.279 ( 2.878 2.612 12.352) 12.949 6.418 ( -1.745 2.102 6.819) 7.346 8.111 ( -2.112 -6.752 -1.184) 7.173 8.172 ( -2.699 -5.556 -2.560) 6.686 10.298 ( -4.696 -0.865 8.493) 9.743 10.520 ( 0.893 5.734 6.973) 9.072 10.899 ( 2.171 -2.050 16.333) 16.603 11.462 ( 0.658 -3.409 1.593) 3.820 12.036 ( 0.422 2.444 -0.950) 2.656 12.055 ( 0.728 2.786 2.693) 3.943 13.321 ( 4.044 7.093 0.840) 8.208 13.566 ( 1.848 3.689 -7.260) 8.350 13.734 ( 4.005 -5.400 5.196) 8.497 14.322 ( 1.278 -9.086 -13.404) 16.244 ======================= Grid point 706 (219/270) ======================= q-point: ( 0.20 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( -16.925 9.762 8.169) 21.178 3.959 ( -1.066 14.418 6.009) 15.657 4.951 ( -13.552 -2.049 0.642) 13.721 5.145 ( -8.261 4.254 -1.235) 9.374 6.320 ( 0.747 0.747 8.840) 8.903 6.374 ( -2.487 0.211 7.035) 7.465 8.047 ( -4.177 -7.010 -1.690) 8.333 8.111 ( -3.313 -4.600 -1.189) 5.793 10.221 ( -2.646 -3.981 7.466) 8.866 10.521 ( -0.626 7.341 7.276) 10.355 10.951 ( 2.887 -3.202 16.930) 17.470 11.453 ( -1.882 0.184 7.826) 8.051 12.053 ( 1.228 3.903 -0.343) 4.106 12.084 ( 2.351 0.741 -4.752) 5.353 13.425 ( 6.077 7.766 0.452) 9.871 13.612 ( 2.558 4.075 -5.896) 7.610 13.844 ( 6.919 -6.361 4.100) 10.254 14.350 ( 1.368 -8.056 -11.117) 13.796 ======================= Grid point 707 (220/270) ======================= q-point: ( 0.30 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -14.765 9.475 7.093) 18.923 3.877 ( -8.436 12.371 -2.540) 15.188 4.716 ( -8.646 0.949 3.727) 9.463 4.991 ( -7.430 6.583 -1.860) 10.099 6.304 ( -1.888 -2.163 6.492) 7.099 6.331 ( -1.954 -0.820 7.083) 7.393 7.967 ( -3.550 -6.602 -1.242) 7.598 8.042 ( -3.685 -4.278 -1.119) 5.756 10.205 ( 1.145 -5.960 7.277) 9.476 10.498 ( -1.825 4.241 7.401) 8.723 11.009 ( 3.144 -1.404 17.570) 17.904 11.389 ( -4.417 3.119 12.409) 13.536 12.085 ( 2.023 4.156 -1.515) 4.865 12.134 ( 2.356 0.918 -8.852) 9.206 13.543 ( 5.618 8.075 -0.558) 9.853 13.659 ( 2.108 4.869 -4.609) 7.027 13.993 ( 8.002 -6.997 2.630) 10.951 14.365 ( -0.043 -7.123 -8.165) 10.835 ======================= Grid point 708 (221/270) ======================= q-point: ( 0.40 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -3.615 9.194 1.594) 10.006 3.631 ( -14.921 9.471 -7.684) 19.271 4.647 ( 1.130 5.567 5.365) 7.814 4.850 ( -7.007 7.889 -0.317) 10.556 6.271 ( -1.100 -3.621 6.142) 7.214 6.292 ( -1.857 -2.248 6.300) 6.942 7.919 ( -1.141 -5.908 -1.016) 6.102 7.972 ( -3.246 -4.492 -1.230) 5.678 10.260 ( 4.173 -6.549 7.482) 10.783 10.444 ( -3.762 -1.049 7.637) 8.577 11.082 ( 4.347 1.888 17.522) 18.152 11.289 ( -5.555 4.476 15.135) 16.732 12.128 ( 2.113 3.909 -4.360) 6.225 12.165 ( 0.684 2.181 -8.833) 9.124 13.635 ( 3.649 7.793 -1.696) 8.770 13.688 ( 0.744 5.976 -3.563) 6.997 14.145 ( 7.204 -7.053 0.526) 10.095 14.342 ( -2.453 -6.709 -5.093) 8.773 ======================= Grid point 709 (222/270) ======================= q-point: (-0.50 0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( -9.359 8.841 -4.930) 13.786 3.374 ( 9.359 8.841 -4.930) 13.786 4.722 ( -5.683 7.783 2.733) 10.017 4.722 ( 5.683 7.783 2.733) 10.017 6.266 ( -0.608 -3.458 6.059) 7.002 6.266 ( 0.608 -3.458 6.059) 7.002 7.923 ( -1.485 -5.122 -1.124) 5.450 7.923 ( 1.485 -5.122 -1.124) 5.450 10.355 ( -5.044 -5.071 7.687) 10.500 10.355 ( 5.044 -5.071 7.687) 10.500 11.179 ( -5.458 4.133 16.725) 18.072 11.179 ( 5.458 4.133 16.725) 18.072 12.161 ( -1.078 3.292 -7.038) 7.844 12.161 ( 1.078 3.292 -7.038) 7.844 13.684 ( -1.300 7.041 -2.660) 7.638 13.684 ( 1.300 7.041 -2.660) 7.638 14.268 ( -5.094 -6.802 -2.137) 8.763 14.268 ( 5.094 -6.802 -2.137) 8.763 ======================= Grid point 715 (223/270) ======================= q-point: ( 0.00 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( 0.000 18.842 8.901) 20.839 4.477 ( 0.000 13.924 3.968) 14.479 5.298 ( 0.000 -1.785 2.374) 2.970 5.299 ( 0.000 -2.593 3.985) 4.754 6.355 ( 0.000 7.054 13.366) 15.114 6.526 ( 0.000 5.175 6.567) 8.361 7.958 ( 0.000 -8.908 -0.690) 8.935 8.033 ( 0.000 -9.196 -3.308) 9.773 10.434 ( 0.000 4.395 10.054) 10.973 10.560 ( 0.000 4.055 5.969) 7.217 10.874 ( 0.000 -0.016 14.898) 14.898 11.284 ( 0.000 -10.306 4.270) 11.156 12.122 ( 0.000 5.722 -3.082) 6.499 12.144 ( 0.000 5.667 0.750) 5.717 13.426 ( 0.000 3.341 3.167) 4.603 13.584 ( 0.000 -1.955 0.802) 2.113 13.625 ( 0.000 2.416 -5.962) 6.433 14.041 ( 0.000 -14.066 -12.552) 18.852 ======================= Grid point 716 (224/270) ======================= q-point: ( 0.10 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.330 ( -1.766 17.519 7.214) 19.028 4.389 ( -7.815 15.665 6.207) 18.574 5.157 ( -10.312 -1.398 2.553) 10.715 5.290 ( -3.541 -1.996 2.291) 4.665 6.365 ( 0.458 5.492 11.309) 12.580 6.489 ( -3.482 4.537 6.728) 8.831 7.937 ( -2.198 -8.833 -1.408) 9.211 8.012 ( -1.840 -8.825 -2.225) 9.285 10.305 ( -8.094 1.785 7.768) 11.360 10.662 ( 3.844 7.109 7.706) 11.166 10.841 ( -0.802 -3.401 14.485) 14.900 11.346 ( 4.930 -7.280 6.680) 11.042 12.114 ( -0.129 5.022 -4.849) 6.982 12.158 ( 1.002 6.668 1.327) 6.873 13.474 ( 4.571 2.272 3.521) 6.201 13.599 ( 1.710 -0.651 -0.915) 2.046 13.661 ( 3.466 1.987 -4.818) 6.259 14.067 ( 2.446 -13.423 -11.587) 17.900 ======================= Grid point 717 (225/270) ======================= q-point: ( 0.20 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.098 ( -16.973 14.275 7.999) 23.576 4.331 ( -2.954 18.351 2.844) 18.803 4.931 ( -11.343 0.138 3.371) 11.834 5.206 ( -4.165 0.852 -0.114) 4.253 6.343 ( -3.396 1.596 7.038) 7.975 6.406 ( -4.315 3.044 7.857) 9.467 7.874 ( -3.830 -8.488 -2.049) 9.535 7.968 ( -2.623 -8.175 -0.900) 8.633 10.169 ( -5.254 -0.590 7.019) 8.787 10.621 ( -5.788 -0.216 8.517) 10.300 10.919 ( 6.702 2.224 14.341) 15.986 11.429 ( 2.712 -2.781 9.829) 10.569 12.129 ( 1.630 4.013 -5.424) 6.941 12.183 ( 1.736 7.890 -0.432) 8.091 13.588 ( 6.495 -2.132 3.691) 7.769 13.655 ( 4.032 4.395 -2.868) 6.618 13.750 ( 5.324 1.292 -3.520) 6.512 14.123 ( 2.845 -12.000 -9.413) 15.514 ======================= Grid point 718 (226/270) ======================= q-point: ( 0.30 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.766 ( -15.087 14.244 6.712) 21.807 4.172 ( -13.694 12.907 -5.484) 19.601 4.791 ( -1.660 6.673 7.340) 10.058 5.133 ( -3.497 5.777 -1.682) 6.959 6.248 ( -5.102 -2.328 6.062) 8.258 6.322 ( -4.584 0.070 7.031) 8.393 7.804 ( -2.982 -7.992 -1.668) 8.692 7.908 ( -3.455 -7.744 -0.869) 8.524 10.108 ( -0.946 -2.974 7.012) 7.675 10.491 ( -7.046 -4.914 8.504) 12.088 11.053 ( 6.671 5.586 14.922) 17.274 11.442 ( -1.279 1.351 11.727) 11.873 12.171 ( 2.518 3.731 -2.838) 5.321 12.226 ( 2.296 7.806 -4.461) 9.280 13.706 ( 5.233 -5.347 0.060) 7.482 13.751 ( 5.158 10.157 -1.734) 11.523 13.864 ( 6.195 -0.746 -1.929) 6.531 14.165 ( 1.090 -10.443 -6.934) 12.582 ======================= Grid point 719 (227/270) ======================= q-point: ( 0.40 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( -4.540 13.363 1.746) 14.221 3.857 ( -16.235 10.178 -7.186) 20.465 4.835 ( 4.876 11.799 5.963) 14.091 5.055 ( -4.711 10.477 -0.776) 11.514 6.172 ( -2.235 -5.187 6.374) 8.516 6.231 ( -4.343 -3.259 6.131) 8.190 7.768 ( -0.551 -7.657 -1.323) 7.790 7.838 ( -3.451 -7.535 -1.124) 8.364 10.131 ( 3.131 -5.265 7.308) 9.536 10.351 ( -7.054 -6.873 8.173) 12.798 11.179 ( 6.162 6.644 14.990) 17.516 11.388 ( -3.991 4.413 13.104) 14.392 12.221 ( 2.393 4.427 -2.480) 5.610 12.260 ( 0.908 6.684 -5.353) 8.611 13.794 ( 3.680 -0.002 -2.396) 4.391 13.829 ( 2.384 8.371 -1.869) 8.903 13.988 ( 6.207 -3.933 -0.945) 7.409 14.159 ( -1.768 -8.843 -4.446) 10.054 ======================= Grid point 720 (228/270) ======================= q-point: (-0.50 0.25 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.603 ( -8.301 11.503 -3.941) 14.723 3.603 ( 8.301 11.503 -3.941) 14.723 4.948 ( -5.992 12.748 2.310) 14.274 4.948 ( 5.992 12.748 2.310) 14.274 6.168 ( -1.744 -5.483 6.174) 8.439 6.168 ( 1.744 -5.483 6.174) 8.439 7.783 ( -1.982 -7.514 -1.226) 7.867 7.783 ( 1.982 -7.514 -1.226) 7.867 10.222 ( -5.881 -6.815 7.728) 11.864 10.222 ( 5.881 -6.815 7.728) 11.864 11.293 ( -5.425 6.182 14.299) 16.496 11.293 ( 5.425 6.182 14.299) 16.496 12.257 ( -1.094 5.473 -3.985) 6.858 12.257 ( 1.094 5.473 -3.985) 6.858 13.842 ( -0.998 5.011 -2.539) 5.706 13.842 ( 0.998 5.011 -2.539) 5.706 14.096 ( -4.524 -6.804 -2.163) 8.452 14.096 ( 4.524 -6.804 -2.163) 8.452 ======================= Grid point 726 (229/270) ======================= q-point: ( 0.00 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.679 ( 0.000 12.647 5.552) 13.812 4.743 ( 0.000 9.864 2.695) 10.226 5.237 ( 0.000 -2.909 7.233) 7.796 5.253 ( 0.000 -2.469 5.010) 5.586 6.525 ( 0.000 8.118 11.670) 14.216 6.631 ( 0.000 3.880 7.466) 8.414 7.791 ( 0.000 -5.984 -1.340) 6.132 7.842 ( 0.000 -7.886 -3.045) 8.454 10.558 ( 0.000 7.661 10.673) 13.138 10.667 ( 0.000 5.707 6.932) 8.979 10.860 ( 0.000 -1.758 11.976) 12.105 11.033 ( 0.000 -12.772 8.521) 15.354 12.261 ( 0.000 6.516 -7.097) 9.634 12.272 ( 0.000 5.801 -3.268) 6.658 13.346 ( 0.000 -5.274 5.777) 7.822 13.540 ( 0.000 -11.162 -2.464) 11.430 13.689 ( 0.000 6.881 -4.653) 8.307 13.843 ( 0.000 -2.860 -9.733) 10.144 ======================= Grid point 727 (230/270) ======================= q-point: ( 0.10 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.642 ( -6.751 12.079 4.399) 14.520 4.705 ( -1.772 11.569 4.047) 12.384 5.132 ( -8.882 -0.967 5.240) 10.357 5.215 ( -3.445 -4.607 5.837) 8.195 6.501 ( -2.739 6.731 9.635) 12.068 6.588 ( -4.160 3.824 7.386) 9.300 7.773 ( -1.858 -5.789 -1.912) 6.374 7.829 ( -1.291 -7.671 -2.050) 8.045 10.384 ( -10.314 5.781 7.802) 14.166 10.710 ( -10.139 -6.018 9.621) 15.218 10.845 ( 10.627 6.838 10.754) 16.594 11.176 ( 9.287 -8.240 10.819) 16.468 12.245 ( -0.302 6.852 -6.346) 9.344 12.307 ( 2.220 6.160 -3.623) 7.483 13.362 ( 1.837 -5.689 4.401) 7.423 13.578 ( 3.597 -11.159 -2.238) 11.936 13.730 ( 4.019 7.208 -4.231) 9.274 13.881 ( 3.566 -2.480 -8.872) 9.878 ======================= Grid point 728 (231/270) ======================= q-point: ( 0.20 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -16.462 13.099 5.968) 21.868 4.630 ( -9.194 7.361 -1.225) 11.841 4.967 ( -4.587 3.841 7.845) 9.866 5.175 ( -0.084 -3.452 3.024) 4.590 6.403 ( -7.294 4.077 5.939) 10.252 6.479 ( -6.765 2.738 7.397) 10.392 7.721 ( -3.153 -5.130 -2.238) 6.424 7.794 ( -2.224 -7.458 -0.947) 7.840 10.204 ( -7.682 3.977 6.974) 11.112 10.513 ( -9.610 -8.045 8.664) 15.236 11.041 ( 9.170 7.507 12.845) 17.477 11.338 ( 6.769 -5.596 12.015) 14.882 12.254 ( 1.117 7.259 -5.162) 8.977 12.351 ( 2.192 6.414 -3.219) 7.504 13.424 ( 4.491 -6.086 1.694) 7.751 13.667 ( 5.019 -11.287 -2.569) 12.617 13.835 ( 6.218 7.630 -2.957) 10.277 13.968 ( 4.878 -1.222 -6.839) 8.489 ======================= Grid point 729 (232/270) ======================= q-point: ( 0.30 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( -15.695 13.044 4.441) 20.885 4.340 ( -17.679 2.378 -4.375) 18.367 4.984 ( 4.570 9.953 7.667) 13.369 5.204 ( 2.494 0.481 0.858) 2.681 6.235 ( -9.027 1.481 5.236) 10.540 6.327 ( -8.519 -0.158 6.321) 10.609 7.661 ( -2.650 -4.637 -1.836) 5.648 7.741 ( -3.089 -7.250 -0.902) 7.932 10.090 ( -3.851 1.509 6.868) 8.017 10.337 ( -8.260 -8.385 8.061) 14.265 11.203 ( 7.351 7.547 13.838) 17.392 11.434 ( 3.037 -2.229 12.156) 12.726 12.285 ( 2.004 6.725 -2.502) 7.450 12.387 ( 1.277 5.829 -2.974) 6.668 13.534 ( 6.482 -6.199 -1.076) 9.034 13.757 ( 3.729 -10.970 -3.858) 12.212 13.959 ( 6.021 7.386 -1.276) 9.615 14.057 ( 3.908 0.801 -4.305) 5.869 ======================= Grid point 730 (233/270) ======================= q-point: ( 0.40 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( -6.881 11.192 0.585) 13.151 4.012 ( -14.399 3.824 -4.834) 15.662 5.101 ( 6.635 11.672 5.085) 14.357 5.246 ( 0.973 6.223 0.243) 6.303 6.083 ( -5.458 -2.281 6.224) 8.587 6.161 ( -7.765 -3.314 5.848) 10.270 7.626 ( -0.756 -4.901 -1.503) 5.182 7.680 ( -2.971 -6.677 -1.164) 7.401 10.054 ( 0.156 -1.588 7.014) 7.193 10.193 ( -6.359 -7.219 7.616) 12.270 11.329 ( 5.541 6.807 13.651) 16.229 11.458 ( -0.532 1.679 12.205) 12.332 12.329 ( 2.374 5.565 -0.729) 6.094 12.396 ( -0.408 4.944 -1.965) 5.336 13.664 ( 6.258 -6.721 -3.439) 9.806 13.798 ( 0.269 -9.731 -5.037) 10.960 14.060 ( 4.129 6.330 -0.145) 7.559 14.112 ( 1.572 2.985 -1.893) 3.868 ======================= Grid point 731 (234/270) ======================= q-point: (-0.50 0.38 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( -4.941 7.581 -3.130) 9.575 3.815 ( 4.941 7.581 -3.130) 9.575 5.216 ( -4.200 11.016 1.997) 11.957 5.216 ( 4.200 11.016 1.997) 11.957 6.052 ( -2.481 -4.860 6.348) 8.371 6.052 ( 2.481 -4.860 6.348) 8.371 7.634 ( -1.495 -5.755 -1.345) 6.097 7.634 ( 1.495 -5.755 -1.345) 6.097 10.093 ( -3.670 -4.758 7.267) 9.430 10.093 ( 3.670 -4.758 7.267) 9.430 11.418 ( -3.393 4.895 12.838) 14.153 11.418 ( 3.393 4.895 12.838) 14.153 12.373 ( -1.851 4.770 -0.802) 5.179 12.373 ( 1.851 4.770 -0.802) 5.179 13.764 ( -3.660 -8.028 -4.919) 10.101 13.764 ( 3.660 -8.028 -4.919) 10.101 14.115 ( -1.347 4.824 -0.348) 5.020 14.115 ( 1.347 4.824 -0.348) 5.020 ======================= Grid point 737 (235/270) ======================= q-point: ( 0.00 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.840 ( 0.000 -1.734 2.031) 2.670 4.840 ( 0.000 1.734 2.031) 2.670 5.208 ( 0.000 -0.882 8.530) 8.576 5.208 ( 0.000 0.882 8.530) 8.576 6.650 ( 0.000 -2.693 9.570) 9.942 6.650 ( 0.000 2.693 9.570) 9.942 7.736 ( 0.000 -1.369 -2.464) 2.819 7.736 ( 0.000 1.369 -2.464) 2.819 10.753 ( 0.000 -6.901 11.492) 13.405 10.753 ( 0.000 6.901 11.492) 13.405 10.800 ( 0.000 -0.200 7.979) 7.982 10.800 ( 0.000 0.200 7.979) 7.982 12.345 ( 0.000 -0.160 -7.461) 7.463 12.345 ( 0.000 0.160 -7.461) 7.463 13.331 ( 0.000 -5.271 2.656) 5.902 13.331 ( 0.000 5.271 2.656) 5.902 13.799 ( 0.000 -3.162 -6.680) 7.391 13.799 ( 0.000 3.162 -6.680) 7.391 ======================= Grid point 739 (236/270) ======================= q-point: ( 0.10 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.812 ( -4.014 -2.315 1.531) 4.880 4.812 ( -4.014 2.315 1.531) 4.880 5.133 ( -5.897 -1.980 8.542) 10.567 5.133 ( -5.897 1.980 8.542) 10.567 6.609 ( -4.230 -2.399 8.409) 9.714 6.609 ( -4.230 2.399 8.409) 9.714 7.723 ( -1.333 -1.533 -2.179) 2.979 7.723 ( -1.333 1.533 -2.179) 2.979 10.542 ( -11.426 -8.550 8.411) 16.565 10.542 ( -11.426 8.550 8.411) 16.565 11.006 ( 10.883 -7.832 11.466) 17.642 11.006 ( 10.883 7.832 11.466) 17.642 12.358 ( 1.248 -2.200 -6.902) 7.350 12.358 ( 1.248 2.200 -6.902) 7.350 13.357 ( 2.654 -6.244 1.831) 7.028 13.357 ( 2.654 6.244 1.831) 7.028 13.841 ( 4.111 -3.051 -6.024) 7.906 13.841 ( 4.111 3.051 -6.024) 7.906 ======================= Grid point 741 (237/270) ======================= q-point: ( 0.20 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( -15.279 -6.847 1.641) 16.824 4.620 ( -15.279 6.847 1.641) 16.824 5.078 ( 1.187 -5.396 6.555) 8.573 5.078 ( 1.187 5.396 6.555) 8.573 6.485 ( -8.349 -2.452 6.331) 10.761 6.485 ( -8.349 2.452 6.331) 10.761 7.685 ( -2.416 -2.059 -1.677) 3.590 7.685 ( -2.416 2.059 -1.677) 3.590 10.334 ( -9.501 -7.934 7.529) 14.488 10.334 ( -9.501 7.934 7.529) 14.488 11.200 ( 8.784 -7.188 12.950) 17.220 11.200 ( 8.784 7.188 12.950) 17.220 12.387 ( 1.544 -3.520 -5.147) 6.423 12.387 ( 1.544 3.520 -5.147) 6.423 13.432 ( 4.875 -7.406 -0.271) 8.871 13.432 ( 4.875 7.406 -0.271) 8.871 13.945 ( 5.999 -2.648 -4.413) 7.904 13.945 ( 5.999 2.648 -4.413) 7.904 ======================= Grid point 743 (238/270) ======================= q-point: ( 0.30 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( -16.952 -7.033 0.301) 18.355 4.286 ( -16.952 7.033 0.301) 18.355 5.152 ( 5.621 -5.295 4.558) 8.967 5.152 ( 5.621 5.295 4.558) 8.967 6.294 ( -10.623 -2.956 5.273) 12.222 6.294 ( -10.623 2.956 5.273) 12.222 7.633 ( -2.727 -2.225 -1.412) 3.792 7.633 ( -2.727 2.225 -1.412) 3.792 10.174 ( -6.711 -6.273 7.182) 11.661 10.174 ( -6.711 6.273 7.182) 11.661 11.348 ( 6.217 -5.739 13.225) 15.700 11.348 ( 6.217 5.739 13.225) 15.700 12.413 ( 1.006 -3.634 -2.541) 4.547 12.413 ( 1.006 3.634 -2.541) 4.547 13.537 ( 5.380 -6.797 -2.862) 9.129 13.537 ( 5.380 6.797 -2.862) 9.129 14.060 ( 5.334 -1.955 -2.433) 6.180 14.060 ( 5.334 1.955 -2.433) 6.180 ======================= Grid point 745 (239/270) ======================= q-point: ( 0.40 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( -10.547 -4.452 -1.865) 11.599 4.006 ( -10.547 4.452 -1.865) 11.599 5.275 ( 6.114 -3.820 2.936) 7.784 5.275 ( 6.114 3.820 2.936) 7.784 6.093 ( -8.935 -2.669 5.705) 10.932 6.093 ( -8.935 2.669 5.705) 10.932 7.587 ( -1.826 -1.471 -1.385) 2.723 7.587 ( -1.826 1.471 -1.385) 2.723 10.074 ( -3.475 -3.494 7.048) 8.600 10.074 ( -3.475 3.494 7.048) 8.600 11.442 ( 3.290 -3.283 12.716) 13.539 11.442 ( 3.290 3.283 12.716) 13.539 12.426 ( 0.382 -2.358 -0.169) 2.395 12.426 ( 0.382 2.358 -0.169) 2.395 13.628 ( 3.505 -4.074 -5.021) 7.355 13.628 ( 3.505 4.074 -5.021) 7.355 14.144 ( 3.003 -1.053 -0.710) 3.261 14.144 ( 3.003 1.053 -0.710) 3.261 ======================= Grid point 747 (240/270) ======================= q-point: (-0.50 -0.50 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( 0.000 0.000 -2.861) 2.861 3.899 ( 0.000 0.000 -2.861) 2.861 5.347 ( -0.000 -0.000 1.873) 1.873 5.347 ( 0.000 0.000 1.873) 1.873 5.992 ( 0.000 0.000 6.496) 6.496 5.992 ( 0.000 0.000 6.496) 6.496 7.568 ( 0.000 0.000 -1.405) 1.405 7.568 ( 0.000 0.000 -1.405) 1.405 10.039 ( -0.000 0.000 7.009) 7.009 10.039 ( 0.000 0.000 7.009) 7.009 11.474 ( 0.000 0.000 12.377) 12.377 11.474 ( 0.000 0.000 12.377) 12.377 12.430 ( 0.000 -0.000 0.793) 0.793 12.430 ( 0.000 0.000 0.793) 0.793 13.664 ( 0.000 0.000 -5.877) 5.877 13.664 ( -0.000 0.000 -5.877) 5.877 14.174 ( 0.000 0.000 -0.002) 0.002 14.174 ( 0.000 0.000 -0.002) 0.002 ======================= Grid point 792 (241/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( 0.000 0.000 7.903) 7.903 4.099 ( 0.000 0.000 -2.393) 2.393 5.353 ( 0.000 0.000 0.671) 0.671 5.362 ( 0.000 0.000 -0.084) 0.084 6.422 ( 0.000 0.000 6.777) 6.777 6.483 ( 0.000 0.000 0.604) 0.604 8.196 ( 0.000 0.000 0.115) 0.115 8.214 ( 0.000 0.000 -1.788) 1.788 10.492 ( 0.000 0.000 5.250) 5.250 10.543 ( 0.000 0.000 0.244) 0.244 11.169 ( 0.000 0.000 12.039) 12.039 11.373 ( 0.000 0.000 -8.209) 8.209 12.069 ( 0.000 0.000 1.449) 1.449 12.069 ( 0.000 0.000 1.380) 1.380 13.253 ( 0.000 0.000 3.829) 3.829 13.355 ( 0.000 0.000 -6.287) 6.287 13.909 ( 0.000 0.000 9.519) 9.519 14.133 ( 0.000 0.000 -12.593) 12.593 ======================= Grid point 793 (242/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( -2.575 0.000 6.206) 6.719 4.039 ( -6.287 0.000 -0.502) 6.307 5.248 ( -9.995 0.000 0.474) 10.006 5.258 ( -9.544 0.000 -0.306) 9.549 6.435 ( 0.903 0.000 5.542) 5.615 6.479 ( -0.480 0.000 1.059) 1.163 8.177 ( -1.863 0.000 -0.107) 1.866 8.189 ( -2.504 0.000 -1.320) 2.831 10.466 ( -2.145 0.000 4.885) 5.335 10.512 ( -2.599 0.000 0.394) 2.629 11.216 ( 4.137 0.000 12.194) 12.877 11.413 ( 3.528 0.000 -7.210) 8.027 12.047 ( -2.028 0.000 0.829) 2.191 12.049 ( -1.819 0.000 0.776) 1.978 13.287 ( 3.288 0.000 3.549) 4.838 13.382 ( 2.558 0.000 -5.853) 6.387 13.947 ( 3.764 0.000 8.980) 9.737 14.158 ( 2.428 0.000 -11.827) 12.074 ======================= Grid point 794 (243/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.844 ( -13.502 0.000 4.051) 14.097 3.878 ( -7.568 0.000 0.998) 7.634 5.005 ( -13.287 0.000 1.498) 13.371 5.044 ( -10.946 0.000 -1.994) 11.126 6.442 ( -0.340 0.000 3.649) 3.665 6.461 ( -1.328 0.000 1.701) 2.159 8.123 ( -3.982 0.000 -0.391) 4.001 8.125 ( -3.289 0.000 -0.603) 3.344 10.433 ( -0.726 0.000 4.178) 4.240 10.468 ( -1.386 0.000 0.789) 1.595 11.304 ( 4.252 0.000 12.646) 13.342 11.481 ( 2.669 0.000 -3.973) 4.786 12.002 ( -2.178 0.000 -1.268) 2.520 12.009 ( -2.064 0.000 -0.937) 2.267 13.369 ( 4.668 0.000 2.654) 5.370 13.444 ( 3.448 0.000 -4.813) 5.921 14.046 ( 5.873 0.000 7.467) 9.500 14.219 ( 3.533 0.000 -9.753) 10.373 ======================= Grid point 795 (244/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( -16.412 0.000 6.755) 17.748 3.663 ( -14.024 0.000 -5.329) 15.002 4.782 ( -8.448 0.000 3.948) 9.325 4.859 ( -7.697 0.000 -3.297) 8.373 6.423 ( -1.386 0.000 2.603) 2.949 6.430 ( -1.734 0.000 1.935) 2.598 8.044 ( -3.794 0.000 0.195) 3.799 8.056 ( -3.596 0.000 -0.955) 3.720 10.444 ( 1.692 0.000 3.480) 3.870 10.465 ( 1.005 0.000 1.417) 1.737 11.371 ( 2.508 0.000 12.901) 13.143 11.504 ( -0.352 0.000 1.395) 1.439 11.969 ( -1.085 0.000 -4.540) 4.668 11.975 ( -1.279 0.000 -3.363) 3.598 13.458 ( 4.164 0.000 1.335) 4.373 13.508 ( 2.814 0.000 -3.580) 4.554 14.163 ( 5.782 0.000 5.191) 7.771 14.285 ( 2.875 0.000 -6.899) 7.475 ======================= Grid point 796 (245/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 430 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( -9.744 0.000 4.159) 10.595 3.375 ( -13.525 0.000 -6.580) 15.041 4.680 ( -2.312 0.000 3.766) 4.419 4.739 ( -4.608 0.000 -2.003) 5.025 6.397 ( -1.101 0.000 2.210) 2.469 6.399 ( -1.240 0.000 1.963) 2.322 7.984 ( -2.104 0.000 0.132) 2.108 7.994 ( -2.464 0.000 -0.848) 2.605 10.486 ( 2.165 0.000 2.923) 3.638 10.495 ( 1.637 0.000 2.025) 2.604 11.407 ( 1.400 0.000 12.262) 12.341 11.476 ( -2.078 0.000 6.628) 6.946 11.957 ( -0.338 0.000 -6.824) 6.832 11.958 ( -0.493 0.000 -5.676) 5.697 13.526 ( 2.579 0.000 -0.015) 2.579 13.549 ( 1.319 0.000 -2.378) 2.719 14.262 ( 4.057 0.000 2.412) 4.720 14.324 ( 0.932 0.000 -3.764) 3.878 ======================= Grid point 797 (246/270) ======================= 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 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -3.286 0.000 -1.964) 3.829 3.197 ( 3.286 0.000 -1.964) 3.829 4.677 ( -1.684 0.000 0.984) 1.950 4.677 ( 1.684 0.000 0.984) 1.950 6.386 ( -0.067 0.000 2.038) 2.039 6.386 ( 0.067 0.000 2.038) 2.039 7.966 ( -0.294 0.000 -0.358) 0.463 7.966 ( 0.294 0.000 -0.358) 0.463 10.512 ( -0.218 0.000 2.483) 2.493 10.512 ( 0.218 0.000 2.483) 2.493 11.436 ( -1.791 0.000 10.248) 10.403 11.436 ( 1.791 0.000 10.248) 10.403 11.954 ( -0.017 0.000 -7.043) 7.043 11.954 ( 0.017 0.000 -7.043) 7.043 13.557 ( -0.596 0.000 -1.227) 1.364 13.557 ( 0.596 0.000 -1.227) 1.364 14.318 ( -1.584 0.000 -0.622) 1.702 14.318 ( 1.584 0.000 -0.621) 1.702 ======================= Grid point 803 (247/270) ======================= q-point: ( 0.00 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( 0.000 12.757 6.768) 14.441 4.226 ( 0.000 11.130 -1.638) 11.250 5.349 ( 0.000 -0.315 0.941) 0.992 5.359 ( 0.000 -0.268 0.111) 0.290 6.453 ( 0.000 2.980 6.579) 7.223 6.512 ( 0.000 2.789 0.595) 2.851 8.125 ( 0.000 -6.302 0.292) 6.308 8.147 ( 0.000 -6.080 -1.889) 6.367 10.514 ( 0.000 2.096 5.009) 5.429 10.562 ( 0.000 1.832 0.350) 1.865 11.161 ( 0.000 -0.793 11.879) 11.905 11.356 ( 0.000 -1.763 -7.388) 7.596 12.072 ( 0.000 0.496 1.549) 1.626 12.085 ( 0.000 1.534 0.510) 1.617 13.320 ( 0.000 5.901 3.211) 6.718 13.409 ( 0.000 4.728 -5.642) 7.362 13.837 ( 0.000 -6.478 8.634) 10.794 14.044 ( 0.000 -8.117 -11.742) 14.275 ======================= Grid point 804 (248/270) ======================= q-point: ( 0.10 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( -2.899 12.468 4.926) 13.716 4.166 ( -6.250 11.290 0.420) 12.912 5.212 ( -11.084 -1.390 0.512) 11.183 5.301 ( -7.245 1.846 0.052) 7.477 6.456 ( -0.082 1.988 5.190) 5.558 6.500 ( -1.163 2.163 1.249) 2.755 8.093 ( -2.878 -6.910 -0.525) 7.504 8.137 ( -1.259 -5.254 -0.848) 5.469 10.415 ( -5.944 -1.872 2.944) 6.893 10.613 ( 1.592 6.569 2.257) 7.126 11.171 ( 1.672 -3.820 9.840) 10.687 11.424 ( 5.580 0.474 -4.313) 7.068 12.020 ( -3.309 -0.345 -0.200) 3.333 12.101 ( -0.011 2.953 1.197) 3.187 13.358 ( 3.649 6.234 2.896) 7.783 13.440 ( 2.882 5.006 -5.165) 7.749 13.862 ( 2.598 -7.682 7.131) 10.799 14.079 ( 3.346 -7.204 -10.053) 12.812 ======================= Grid point 805 (249/270) ======================= q-point: ( 0.20 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( -13.734 10.324 4.558) 17.776 4.018 ( -8.456 12.327 0.034) 14.948 4.973 ( -11.652 -0.584 1.102) 11.718 5.118 ( -10.053 4.341 -1.147) 11.010 6.436 ( -1.963 -0.526 2.783) 3.446 6.471 ( -1.829 1.124 2.468) 3.271 8.023 ( -3.927 -7.221 -0.593) 8.241 8.095 ( -2.968 -4.382 -0.391) 5.307 10.322 ( -3.027 -4.500 2.545) 5.991 10.619 ( -0.555 7.920 2.417) 8.299 11.225 ( 3.392 -5.569 8.990) 11.106 11.527 ( 4.026 2.672 -0.128) 4.834 11.966 ( -1.726 -0.217 -2.836) 3.327 12.087 ( -1.144 4.631 0.471) 4.793 13.448 ( 5.059 6.900 1.982) 8.782 13.510 ( 3.899 5.628 -4.055) 7.957 13.940 ( 5.160 -9.221 4.697) 11.564 14.158 ( 4.242 -5.920 -7.117) 10.183 ======================= Grid point 806 (250/270) ======================= q-point: ( 0.30 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -16.757 9.741 7.086) 20.638 3.784 ( -14.959 10.489 -6.106) 19.263 4.798 ( -5.783 2.814 3.485) 7.315 4.944 ( -7.340 6.391 -2.379) 10.019 6.390 ( -2.360 -2.606 2.119) 4.104 6.427 ( -2.562 -0.490 2.389) 3.537 7.950 ( -3.222 -6.929 -0.383) 7.651 8.026 ( -3.821 -4.029 -0.397) 5.567 10.304 ( 1.194 -6.181 2.472) 6.764 10.598 ( -1.668 4.828 2.478) 5.677 11.293 ( 3.498 -3.991 9.149) 10.577 11.563 ( -0.424 3.025 4.183) 5.180 11.960 ( 1.011 1.933 -5.636) 6.043 12.064 ( -1.097 5.779 -1.257) 6.015 13.543 ( 4.373 7.327 0.745) 8.565 13.582 ( 3.272 6.358 -2.834) 7.691 14.053 ( 6.057 -9.288 2.724) 11.418 14.231 ( 2.860 -5.489 -4.571) 7.694 ======================= Grid point 807 (251/270) ======================= q-point: ( 0.40 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -9.788 9.425 4.213) 14.226 3.484 ( -13.801 9.468 -6.564) 17.978 4.740 ( -0.617 6.056 3.390) 6.968 4.828 ( -4.611 7.560 -1.581) 8.995 6.354 ( -1.175 -3.590 2.044) 4.295 6.378 ( -2.191 -2.211 2.151) 3.784 7.906 ( -1.151 -6.156 -0.305) 6.270 7.954 ( -3.230 -4.346 -0.440) 5.432 10.362 ( 4.349 -6.572 2.536) 8.279 10.547 ( -3.617 -0.484 2.567) 4.462 11.366 ( 3.932 -0.926 9.116) 9.971 11.523 ( -3.267 2.453 6.929) 8.044 11.991 ( 1.767 4.538 -6.255) 7.927 12.044 ( -0.997 6.283 -3.452) 7.238 13.613 ( 2.631 7.454 -0.342) 7.912 13.632 ( 1.652 7.060 -1.836) 7.480 14.164 ( 4.944 -8.295 1.012) 9.710 14.263 ( 0.259 -5.950 -2.485) 6.453 ======================= Grid point 808 (252/270) ======================= q-point: (-0.50 0.12 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -3.317 9.372 -1.811) 10.106 3.304 ( 3.317 9.372 -1.811) 10.106 4.759 ( -2.370 7.572 0.929) 7.989 4.759 ( 2.370 7.572 0.929) 7.989 6.348 ( -0.665 -3.397 2.057) 4.027 6.348 ( 0.665 -3.397 2.057) 4.027 7.908 ( -1.332 -5.174 -0.374) 5.356 7.908 ( 1.332 -5.174 -0.374) 5.356 10.459 ( -5.101 -4.809 2.598) 7.477 10.459 ( 5.101 -4.809 2.598) 7.477 11.447 ( -4.196 1.406 8.429) 9.520 11.447 ( 4.196 1.406 8.429) 9.520 12.022 ( -1.340 5.985 -5.289) 8.099 12.022 ( 1.340 5.985 -5.289) 8.099 13.644 ( -0.481 7.420 -1.108) 7.518 13.644 ( 0.481 7.420 -1.108) 7.518 14.239 ( -2.587 -7.013 -0.679) 7.506 14.239 ( 2.587 -7.013 -0.679) 7.506 ======================= Grid point 814 (253/270) ======================= q-point: ( 0.00 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 414 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.467 ( 0.000 15.996 4.332) 16.573 4.513 ( 0.000 14.263 -0.288) 14.266 5.341 ( 0.000 -0.420 1.566) 1.621 5.350 ( 0.000 -0.636 0.918) 1.117 6.549 ( 0.000 6.002 5.976) 8.469 6.601 ( 0.000 5.423 0.738) 5.473 7.954 ( 0.000 -9.025 0.465) 9.037 7.979 ( 0.000 -9.068 -1.962) 9.278 10.583 ( 0.000 4.531 4.772) 6.580 10.626 ( 0.000 4.368 0.542) 4.401 11.132 ( 0.000 -2.142 10.468) 10.684 11.285 ( 0.000 -5.302 -4.174) 6.747 12.101 ( 0.000 2.457 0.836) 2.595 12.132 ( 0.000 2.871 -1.548) 3.262 13.475 ( 0.000 7.842 2.031) 8.100 13.528 ( 0.000 5.484 -3.582) 6.550 13.655 ( 0.000 -9.885 6.061) 11.596 13.816 ( 0.000 -12.189 -9.646) 15.544 ======================= Grid point 815 (254/270) ======================= q-point: ( 0.10 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.423 ( -5.265 14.749 2.157) 15.808 4.472 ( -4.060 15.815 2.073) 16.459 5.197 ( -10.596 0.077 1.223) 10.666 5.321 ( -5.090 -0.062 0.756) 5.146 6.519 ( -3.174 4.035 3.862) 6.424 6.579 ( -2.177 5.111 2.129) 5.949 7.915 ( -3.125 -9.086 -0.629) 9.629 7.983 ( -0.355 -8.582 -0.675) 8.616 10.409 ( -9.034 1.542 2.570) 9.518 10.766 ( 4.172 7.472 2.578) 8.938 11.065 ( -1.473 -5.926 6.770) 9.117 11.411 ( 8.573 -2.138 0.398) 8.845 12.045 ( -3.117 2.926 -1.571) 4.555 12.175 ( 2.044 3.963 0.276) 4.468 13.521 ( 4.406 8.185 1.568) 9.427 13.562 ( 2.966 4.842 -2.699) 6.287 13.653 ( 0.843 -10.352 3.043) 10.823 13.873 ( 4.860 -11.325 -6.843) 14.096 ======================= Grid point 816 (255/270) ======================= q-point: ( 0.20 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.231 ( -14.243 13.721 4.914) 20.378 4.333 ( -11.002 15.314 -1.874) 18.949 4.999 ( -7.696 3.066 2.547) 8.667 5.193 ( -6.681 2.333 -0.800) 7.122 6.432 ( -5.327 0.568 2.071) 5.743 6.516 ( -4.223 3.058 2.777) 5.907 7.846 ( -3.665 -8.729 -0.728) 9.495 7.957 ( -2.309 -7.996 -0.249) 8.327 10.264 ( -5.428 -0.793 2.336) 5.962 10.735 ( -5.491 0.837 2.809) 6.225 11.140 ( 7.101 -0.375 6.485) 9.624 11.555 ( 5.270 -0.408 2.729) 5.948 12.010 ( 0.087 4.514 -3.700) 5.837 12.203 ( 0.862 6.078 0.664) 6.174 13.614 ( 3.254 2.208 -1.080) 4.078 13.633 ( 5.422 5.592 0.534) 7.807 13.723 ( 6.052 -5.376 0.570) 8.115 13.976 ( 5.144 -10.374 -4.465) 12.410 ======================= Grid point 817 (256/270) ======================= q-point: ( 0.30 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.903 ( -17.388 13.088 6.902) 22.832 4.044 ( -17.200 12.291 -6.877) 22.231 4.921 ( -0.887 8.452 4.645) 9.685 5.088 ( -3.975 6.506 -2.380) 7.987 6.327 ( -4.840 -2.765 1.900) 5.889 6.418 ( -5.461 -0.185 2.393) 5.966 7.781 ( -2.634 -8.229 -0.540) 8.657 7.897 ( -3.666 -7.614 -0.281) 8.455 10.202 ( -0.803 -3.163 2.347) 4.019 10.606 ( -7.168 -4.546 2.850) 8.953 11.284 ( 7.032 3.628 6.848) 10.464 11.604 ( 0.066 1.019 4.161) 4.285 12.051 ( 3.571 6.255 -4.676) 8.587 12.213 ( 0.164 7.862 0.116) 7.864 13.680 ( 3.697 -1.296 -1.116) 4.073 13.736 ( 4.474 7.424 -0.512) 8.683 13.859 ( 7.183 -3.149 0.676) 7.872 14.060 ( 3.186 -9.354 -2.993) 10.325 ======================= Grid point 818 (257/270) ======================= q-point: ( 0.40 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 682 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -10.042 12.666 3.782) 16.600 3.722 ( -13.973 11.565 -5.878) 19.067 4.936 ( 1.884 11.827 3.646) 12.519 5.027 ( -2.520 10.477 -1.776) 10.921 6.256 ( -2.103 -5.131 2.055) 5.914 6.315 ( -4.589 -3.391 2.144) 6.095 7.750 ( -0.431 -7.836 -0.422) 7.859 7.823 ( -3.584 -7.497 -0.389) 8.319 10.229 ( 3.397 -5.484 2.455) 6.902 10.462 ( -7.332 -6.944 2.757) 10.468 11.409 ( 5.683 4.702 6.767) 10.009 11.575 ( -2.669 2.692 5.025) 6.294 12.126 ( 3.559 7.547 -3.982) 9.245 12.208 ( -0.699 8.654 -1.151) 8.758 13.752 ( 3.388 0.737 -1.252) 3.687 13.798 ( 1.714 6.305 -0.958) 6.604 13.987 ( 5.527 -3.854 0.317) 6.746 14.095 ( 0.257 -7.839 -1.740) 8.033 ======================= Grid point 819 (258/270) ======================= q-point: (-0.50 0.25 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.547 ( -2.974 12.143 -1.479) 12.589 3.547 ( 2.974 12.143 -1.479) 12.589 4.980 ( -2.391 12.525 0.819) 12.778 4.980 ( 2.391 12.525 0.819) 12.778 6.252 ( -1.642 -5.394 2.101) 6.017 6.252 ( 1.642 -5.394 2.101) 6.017 7.766 ( -1.992 -7.591 -0.411) 7.859 7.766 ( 1.992 -7.591 -0.411) 7.859 10.326 ( -6.199 -7.040 2.605) 9.735 10.326 ( 6.199 -7.040 2.605) 9.735 11.507 ( -4.256 4.110 6.028) 8.446 11.507 ( 4.256 4.110 6.028) 8.446 12.182 ( -2.073 8.446 -2.659) 9.094 12.182 ( 2.073 8.446 -2.659) 9.094 13.801 ( -1.327 3.830 -1.190) 4.225 13.801 ( 1.327 3.830 -1.190) 4.225 14.070 ( -2.805 -5.781 -0.578) 6.451 14.070 ( 2.805 -5.781 -0.578) 6.451 ======================= Grid point 825 (259/270) ======================= q-point: ( 0.00 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.753 ( 0.000 9.907 2.051) 10.117 4.770 ( 0.000 8.944 0.220) 8.947 5.332 ( 0.000 -0.341 2.392) 2.416 5.335 ( 0.000 -0.629 2.342) 2.425 6.692 ( 0.000 6.594 4.863) 8.193 6.724 ( 0.000 5.319 1.609) 5.557 7.776 ( 0.000 -6.892 0.033) 6.892 7.794 ( 0.000 -7.511 -1.687) 7.698 10.714 ( 0.000 7.877 4.716) 9.180 10.749 ( 0.000 7.130 1.177) 7.226 11.056 ( 0.000 -5.222 7.093) 8.808 11.127 ( 0.000 -9.294 0.500) 9.307 12.173 ( 0.000 3.776 -1.339) 4.007 12.199 ( 0.000 2.939 -3.256) 4.386 13.452 ( 0.000 -7.675 4.479) 8.887 13.508 ( 0.000 -9.069 -1.290) 9.160 13.628 ( 0.000 5.597 -0.923) 5.672 13.680 ( 0.000 1.814 -6.005) 6.273 ======================= Grid point 826 (260/270) ======================= q-point: ( 0.10 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -5.810 10.276 1.254) 11.871 4.752 ( -3.131 9.099 0.969) 9.671 5.213 ( -8.622 1.365 2.313) 9.031 5.299 ( -4.794 -1.914 2.154) 5.594 6.627 ( -5.936 5.743 2.942) 8.768 6.691 ( -3.681 4.465 2.679) 6.377 7.744 ( -2.426 -6.111 -0.805) 6.624 7.802 ( -0.051 -7.716 -0.601) 7.740 10.488 ( -11.311 6.009 2.565) 13.063 10.838 ( -10.064 -5.450 3.105) 11.859 11.007 ( 11.407 5.160 4.604) 13.339 11.325 ( 10.881 -5.851 3.758) 12.913 12.141 ( -1.131 5.630 -2.896) 6.431 12.253 ( 3.403 2.542 -1.742) 4.591 13.428 ( -0.866 -7.300 1.844) 7.579 13.557 ( 3.708 -9.394 -0.102) 10.100 13.680 ( 5.033 5.829 -0.355) 7.710 13.736 ( 5.195 1.427 -5.140) 7.446 ======================= Grid point 827 (261/270) ======================= q-point: ( 0.20 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.496 ( -14.919 10.331 3.698) 18.520 4.587 ( -14.252 7.475 -2.511) 16.288 5.090 ( -2.178 4.736 3.693) 6.388 5.209 ( -2.958 -0.747 0.467) 3.086 6.478 ( -8.744 3.895 1.739) 9.729 6.580 ( -7.457 2.031 2.510) 8.126 7.690 ( -2.900 -5.014 -0.779) 5.844 7.783 ( -1.940 -7.712 -0.236) 7.956 10.298 ( -7.915 4.110 2.298) 9.210 10.631 ( -10.127 -8.739 2.928) 13.693 11.232 ( 10.490 7.281 5.378) 13.855 11.507 ( 7.212 -4.016 4.415) 9.361 12.147 ( 1.901 7.770 -3.564) 8.757 12.317 ( 2.943 3.403 -0.862) 4.581 13.440 ( 2.168 -7.043 0.187) 7.371 13.636 ( 4.047 -10.200 -0.638) 10.992 13.807 ( 7.431 6.023 0.221) 9.568 13.860 ( 6.951 1.783 -3.596) 8.027 ======================= Grid point 828 (262/270) ======================= q-point: ( 0.30 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.155 ( -17.958 9.689 4.464) 20.888 4.247 ( -18.476 6.092 -4.684) 20.010 5.111 ( 3.227 7.933 4.568) 9.706 5.197 ( 1.331 3.385 -1.460) 3.920 6.303 ( -8.576 1.043 1.605) 8.787 6.412 ( -9.133 -0.857 2.128) 9.416 7.637 ( -2.336 -4.555 -0.594) 5.153 7.730 ( -3.284 -7.407 -0.263) 8.107 10.182 ( -3.798 1.509 2.271) 4.675 10.446 ( -8.620 -9.038 2.711) 12.780 11.409 ( 7.537 6.896 5.834) 11.764 11.604 ( 2.790 -1.340 4.362) 5.349 12.210 ( 4.153 8.284 -3.038) 9.752 12.363 ( 1.654 4.904 -0.282) 5.183 13.509 ( 4.612 -7.293 -0.934) 8.679 13.704 ( 2.549 -10.681 -1.326) 11.061 13.952 ( 6.881 6.023 0.466) 9.157 13.991 ( 5.985 3.017 -2.165) 7.043 ======================= Grid point 829 (263/270) ======================= q-point: ( 0.40 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 680 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.860 ( -10.681 9.099 1.998) 14.173 3.924 ( -13.195 6.541 -3.716) 15.189 5.187 ( 3.958 10.183 3.350) 11.428 5.236 ( 1.894 8.123 -1.352) 8.449 6.165 ( -4.773 -2.582 1.985) 5.778 6.241 ( -7.674 -3.563 2.034) 8.702 7.606 ( -0.619 -4.934 -0.488) 4.997 7.664 ( -3.156 -6.750 -0.386) 7.462 10.148 ( 0.304 -1.740 2.326) 2.921 10.295 ( -6.643 -7.723 2.547) 10.501 11.530 ( 4.773 5.721 5.516) 9.270 11.627 ( -0.223 1.587 4.288) 4.577 12.293 ( 3.908 7.756 -1.755) 8.860 12.378 ( -0.188 6.184 -0.201) 6.190 13.607 ( 4.997 -8.032 -1.669) 9.606 13.727 ( -0.299 -10.231 -1.846) 10.400 14.064 ( 4.211 5.785 0.386) 7.166 14.084 ( 3.207 4.298 -0.958) 5.448 ======================= Grid point 830 (264/270) ======================= q-point: (-0.50 0.38 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( -1.816 7.924 -1.213) 8.219 3.770 ( 1.816 7.924 -1.213) 8.219 5.245 ( -1.374 10.948 0.772) 11.060 5.245 ( 1.374 10.948 0.772) 11.060 6.138 ( -2.217 -4.772 2.136) 5.679 6.138 ( 2.217 -4.772 2.136) 5.679 7.616 ( -1.577 -5.820 -0.450) 6.047 7.616 ( 1.577 -5.820 -0.450) 6.047 10.191 ( -3.886 -5.080 2.419) 6.838 10.191 ( 3.886 -5.080 2.419) 6.838 11.600 ( -2.456 3.955 4.786) 6.677 11.600 ( 2.456 3.955 4.786) 6.677 12.354 ( -2.225 7.066 -0.697) 7.441 12.354 ( 2.225 7.066 -0.697) 7.441 13.691 ( -3.252 -9.148 -1.984) 9.910 13.691 ( 3.252 -9.148 -1.984) 9.910 14.111 ( -0.506 5.237 -0.086) 5.262 14.111 ( 0.506 5.237 -0.086) 5.262 ======================= Grid point 836 (265/270) ======================= q-point: ( 0.00 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 258 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.864 ( 0.000 -0.389 0.524) 0.652 4.864 ( 0.000 0.389 0.524) 0.652 5.328 ( 0.000 -0.004 3.088) 3.088 5.328 ( 0.000 0.004 3.088) 3.088 6.781 ( 0.000 -0.814 3.281) 3.381 6.781 ( 0.000 0.814 3.281) 3.381 7.700 ( 0.000 -0.465 -0.956) 1.063 7.700 ( 0.000 0.465 -0.956) 1.063 10.908 ( 0.000 -3.063 2.763) 4.125 10.908 ( 0.000 3.063 2.763) 4.125 10.918 ( 0.000 -0.508 4.288) 4.318 10.918 ( 0.000 0.508 4.288) 4.318 12.229 ( 0.000 -0.723 -3.315) 3.393 12.229 ( 0.000 0.723 -3.315) 3.393 13.376 ( 0.000 -1.444 1.431) 2.032 13.376 ( 0.000 1.444 1.431) 2.032 13.701 ( 0.000 -1.041 -2.716) 2.909 13.701 ( 0.000 1.041 -2.716) 2.909 ======================= Grid point 838 (266/270) ======================= q-point: ( 0.10 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.830 ( -4.374 -1.688 0.393) 4.705 4.830 ( -4.374 1.688 0.393) 4.705 5.252 ( -6.277 -2.189 3.062) 7.319 5.252 ( -6.277 2.189 3.062) 7.319 6.722 ( -5.773 -2.053 2.785) 6.730 6.722 ( -5.773 2.053 2.785) 6.730 7.693 ( -0.871 -1.743 -0.775) 2.097 7.693 ( -0.871 1.743 -0.775) 2.097 10.656 ( -12.365 -9.243 2.831) 15.696 10.656 ( -12.365 9.243 2.831) 15.696 11.172 ( 12.480 -8.234 4.491) 15.612 11.172 ( 12.480 8.234 4.491) 15.612 12.247 ( 1.878 -3.314 -3.253) 5.009 12.247 ( 1.878 3.314 -3.253) 5.009 13.388 ( 1.320 -3.984 0.959) 4.305 13.388 ( 1.320 3.984 0.959) 4.305 13.755 ( 5.198 -1.056 -2.303) 5.782 13.755 ( 5.198 1.056 -2.303) 5.782 ======================= Grid point 840 (267/270) ======================= q-point: ( 0.20 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( -15.388 -2.510 0.386) 15.596 4.638 ( -15.388 2.510 0.386) 15.596 5.171 ( -0.593 -2.718 2.426) 3.691 5.171 ( -0.593 2.718 2.426) 3.691 6.568 ( -9.592 -3.255 1.988) 10.322 6.568 ( -9.592 3.255 1.988) 10.322 7.664 ( -2.086 -2.692 -0.517) 3.444 7.664 ( -2.086 2.692 -0.517) 3.444 10.436 ( -9.891 -8.557 2.507) 13.317 10.436 ( -9.891 8.557 2.507) 13.317 11.390 ( 9.446 -6.854 5.192) 12.773 11.390 ( 9.446 6.854 5.192) 12.773 12.299 ( 3.202 -5.139 -2.784) 6.664 12.299 ( 3.202 5.139 -2.784) 6.664 13.430 ( 2.896 -6.208 -0.033) 6.850 13.430 ( 2.896 6.208 -0.033) 6.850 13.885 ( 7.457 -0.970 -1.524) 7.673 13.885 ( 7.457 0.970 -1.524) 7.673 ======================= Grid point 842 (268/270) ======================= q-point: ( 0.30 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.287 ( -18.422 -2.384 -0.033) 18.576 4.287 ( -18.422 2.384 -0.033) 18.576 5.216 ( 4.412 -1.863 1.672) 5.072 5.216 ( 4.412 1.863 1.672) 5.072 6.363 ( -10.730 -3.562 1.680) 11.430 6.363 ( -10.730 3.562 1.680) 11.430 7.615 ( -2.670 -2.642 -0.429) 3.781 7.615 ( -2.670 2.642 -0.429) 3.781 10.271 ( -6.859 -6.699 2.378) 9.878 10.271 ( -6.859 6.699 2.378) 9.878 11.539 ( 5.799 -4.796 5.155) 9.122 11.539 ( 5.799 4.796 5.155) 9.122 12.365 ( 3.290 -4.836 -1.626) 6.071 12.365 ( 3.290 4.836 -1.626) 6.071 13.494 ( 3.401 -6.196 -1.155) 7.162 13.494 ( 3.401 6.196 -1.155) 7.162 14.028 ( 6.723 -0.716 -0.768) 6.805 14.028 ( 6.723 0.716 -0.768) 6.805 ======================= Grid point 844 (269/270) ======================= q-point: ( 0.40 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 426 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( -11.844 -1.617 -0.777) 11.979 3.978 ( -11.844 1.617 -0.777) 11.979 5.317 ( 5.031 -1.341 1.103) 5.322 5.317 ( 5.031 1.341 1.103) 5.322 6.170 ( -8.226 -2.642 1.893) 8.844 6.170 ( -8.226 2.642 1.893) 8.844 7.568 ( -1.867 -1.624 -0.449) 2.514 7.568 ( -1.867 1.624 -0.449) 2.514 10.168 ( -3.532 -3.703 2.329) 5.622 10.168 ( -3.532 3.703 2.329) 5.622 11.621 ( 2.654 -2.404 4.669) 5.885 11.621 ( 2.654 2.404 4.669) 5.885 12.419 ( 2.019 -2.815 -0.333) 3.480 12.419 ( 2.019 2.815 -0.333) 3.480 13.553 ( 2.258 -3.820 -2.069) 4.896 13.553 ( 2.258 3.820 -2.069) 4.896 14.135 ( 3.885 -0.371 -0.206) 3.908 14.135 ( 3.885 0.371 -0.206) 3.908 ======================= Grid point 846 (270/270) ======================= q-point: (-0.50 -0.50 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.45e-05 7.45e-05 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 0.000 0.000 -1.127) 1.127 3.857 ( 0.000 0.000 -1.127) 1.127 5.375 ( -0.000 0.000 0.780) 0.780 5.375 ( -0.000 0.000 0.780) 0.780 6.080 ( 0.000 0.000 2.151) 2.151 6.080 ( 0.000 0.000 2.151) 2.151 7.549 ( 0.000 0.000 -0.468) 0.468 7.549 ( 0.000 0.000 -0.468) 0.468 10.133 ( -0.000 0.000 2.314) 2.314 10.133 ( 0.000 0.000 2.314) 2.314 11.646 ( 0.000 0.000 4.410) 4.410 11.646 ( 0.000 0.000 4.410) 4.410 12.439 ( 0.000 -0.000 0.218) 0.218 12.439 ( 0.000 0.000 0.218) 0.218 13.576 ( 0.000 -0.000 -2.422) 2.422 13.576 ( 0.000 0.000 -2.422) 2.422 14.174 ( 0.000 0.000 0.004) 0.004 14.174 ( -0.000 0.000 0.004) 0.004 =================== 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 3/24480 10.0 3587.145 5961.743 7981.797 0.000 0.000 -0.000 3/24480 20.0 4896.538 4598.354 5559.219 0.000 0.000 -0.000 3/24480 30.0 2145.819 2167.007 2174.376 0.000 0.000 -0.000 3/24480 40.0 1114.571 1232.620 1082.070 0.000 0.000 -0.000 3/24480 50.0 706.230 811.197 663.356 0.000 0.000 -0.000 3/24480 60.0 496.151 578.188 457.204 0.000 0.000 -0.000 3/24480 70.0 369.582 432.710 338.069 0.000 0.000 -0.000 3/24480 80.0 286.710 335.701 262.440 0.000 0.000 -0.000 3/24480 90.0 229.668 268.345 211.453 0.000 0.000 -0.000 3/24480 100.0 188.953 220.121 175.523 0.000 0.000 -0.000 3/24480 110.0 159.011 184.665 149.279 0.000 0.000 -0.000 3/24480 120.0 136.411 157.959 129.512 0.000 0.000 -0.000 3/24480 130.0 118.956 137.393 114.222 0.000 0.000 -0.000 3/24480 140.0 105.193 121.231 102.116 0.000 0.000 -0.000 3/24480 150.0 94.139 108.293 92.333 0.000 0.000 -0.000 3/24480 160.0 85.113 97.763 84.284 0.000 0.000 -0.000 3/24480 170.0 77.633 89.062 77.557 0.000 0.000 -0.000 3/24480 180.0 71.350 81.773 71.856 0.000 0.000 -0.000 3/24480 190.0 66.009 75.593 66.966 0.000 0.000 -0.000 3/24480 200.0 61.419 70.293 62.725 0.000 0.000 -0.000 3/24480 210.0 57.437 65.704 59.013 0.000 0.000 -0.000 3/24480 220.0 53.952 61.694 55.736 0.000 0.000 -0.000 3/24480 230.0 50.878 58.161 52.820 0.000 0.000 -0.000 3/24480 240.0 48.146 55.026 50.209 0.000 0.000 -0.000 3/24480 250.0 45.703 52.226 47.856 0.000 0.000 -0.000 3/24480 260.0 43.506 49.709 45.723 0.000 0.000 -0.000 3/24480 270.0 41.519 47.434 43.782 0.000 0.000 -0.000 3/24480 280.0 39.712 45.368 42.006 0.000 0.000 -0.000 3/24480 290.0 38.063 43.483 40.375 0.000 0.000 -0.000 3/24480 300.0 36.552 41.755 38.871 0.000 0.000 -0.000 3/24480 310.0 35.161 40.166 37.480 0.000 0.000 -0.000 3/24480 320.0 33.877 38.700 36.189 0.000 0.000 -0.000 3/24480 330.0 32.687 37.341 34.988 0.000 0.000 -0.000 3/24480 340.0 31.582 36.079 33.867 0.000 0.000 -0.000 3/24480 350.0 30.552 34.904 32.818 0.000 0.000 -0.000 3/24480 360.0 29.590 33.806 31.834 0.000 0.000 -0.000 3/24480 370.0 28.689 32.778 30.910 0.000 0.000 -0.000 3/24480 380.0 27.843 31.813 30.039 0.000 0.000 -0.000 3/24480 390.0 27.048 30.906 29.218 0.000 0.000 -0.000 3/24480 400.0 26.299 30.052 28.442 0.000 0.000 -0.000 3/24480 410.0 25.592 29.245 27.707 0.000 0.000 -0.000 3/24480 420.0 24.923 28.482 27.011 0.000 0.000 -0.000 3/24480 430.0 24.290 27.759 26.349 0.000 0.000 -0.000 3/24480 440.0 23.689 27.074 25.720 0.000 0.000 -0.000 3/24480 450.0 23.118 26.422 25.121 0.000 0.000 -0.000 3/24480 460.0 22.575 25.803 24.550 0.000 0.000 -0.000 3/24480 470.0 22.058 25.213 24.005 0.000 0.000 -0.000 3/24480 480.0 21.565 24.650 23.484 0.000 0.000 -0.000 3/24480 490.0 21.094 24.112 22.986 0.000 0.000 -0.000 3/24480 500.0 20.643 23.598 22.509 0.000 0.000 -0.000 3/24480 510.0 20.213 23.106 22.052 0.000 0.000 -0.000 3/24480 520.0 19.800 22.635 21.613 0.000 0.000 -0.000 3/24480 530.0 19.404 22.183 21.192 0.000 0.000 -0.000 3/24480 540.0 19.024 21.750 20.787 0.000 0.000 -0.000 3/24480 550.0 18.659 21.333 20.398 0.000 0.000 -0.000 3/24480 560.0 18.309 20.933 20.023 0.000 0.000 -0.000 3/24480 570.0 17.971 20.548 19.662 0.000 0.000 -0.000 3/24480 580.0 17.646 20.177 19.314 0.000 0.000 -0.000 3/24480 590.0 17.333 19.819 18.978 0.000 0.000 -0.000 3/24480 600.0 17.031 19.474 18.654 0.000 0.000 -0.000 3/24480 610.0 16.740 19.142 18.341 0.000 0.000 -0.000 3/24480 620.0 16.458 18.820 18.038 0.000 0.000 -0.000 3/24480 630.0 16.186 18.510 17.746 0.000 0.000 -0.000 3/24480 640.0 15.924 18.210 17.463 0.000 0.000 -0.000 3/24480 650.0 15.669 17.919 17.189 0.000 0.000 -0.000 3/24480 660.0 15.423 17.638 16.923 0.000 0.000 -0.000 3/24480 670.0 15.185 17.366 16.666 0.000 0.000 -0.000 3/24480 680.0 14.954 17.102 16.416 0.000 0.000 -0.000 3/24480 690.0 14.730 16.846 16.174 0.000 0.000 -0.000 3/24480 700.0 14.513 16.598 15.939 0.000 0.000 -0.000 3/24480 710.0 14.302 16.358 15.711 0.000 0.000 -0.000 3/24480 720.0 14.098 16.124 15.490 0.000 0.000 -0.000 3/24480 730.0 13.899 15.897 15.274 0.000 0.000 -0.000 3/24480 740.0 13.706 15.676 15.065 0.000 0.000 -0.000 3/24480 750.0 13.518 15.462 14.861 0.000 0.000 -0.000 3/24480 760.0 13.336 15.253 14.663 0.000 0.000 -0.000 3/24480 770.0 13.158 15.050 14.470 0.000 0.000 -0.000 3/24480 780.0 12.985 14.853 14.282 0.000 0.000 -0.000 3/24480 790.0 12.817 14.660 14.099 0.000 0.000 -0.000 3/24480 800.0 12.653 14.473 13.921 0.000 0.000 -0.000 3/24480 810.0 12.493 14.290 13.747 0.000 0.000 -0.000 3/24480 820.0 12.337 14.112 13.577 0.000 0.000 -0.000 3/24480 830.0 12.185 13.939 13.412 0.000 0.000 -0.000 3/24480 840.0 12.037 13.769 13.251 0.000 0.000 -0.000 3/24480 850.0 11.893 13.604 13.093 0.000 0.000 -0.000 3/24480 860.0 11.752 13.443 12.939 0.000 0.000 -0.000 3/24480 870.0 11.614 13.286 12.789 0.000 0.000 -0.000 3/24480 880.0 11.480 13.132 12.642 0.000 0.000 -0.000 3/24480 890.0 11.348 12.982 12.499 0.000 0.000 -0.000 3/24480 900.0 11.220 12.835 12.359 0.000 0.000 -0.000 3/24480 910.0 11.095 12.692 12.222 0.000 0.000 -0.000 3/24480 920.0 10.972 12.552 12.088 0.000 0.000 -0.000 3/24480 930.0 10.852 12.415 11.957 0.000 0.000 -0.000 3/24480 940.0 10.735 12.281 11.829 0.000 0.000 -0.000 3/24480 950.0 10.620 12.149 11.703 0.000 0.000 -0.000 3/24480 960.0 10.508 12.021 11.581 0.000 0.000 -0.000 3/24480 970.0 10.398 11.895 11.460 0.000 0.000 -0.000 3/24480 980.0 10.290 11.772 11.343 0.000 0.000 -0.000 3/24480 990.0 10.185 11.652 11.227 0.000 0.000 -0.000 3/24480 1000.0 10.082 11.534 11.114 0.000 0.000 -0.000 3/24480 Thermal conductivity related properties were written into "kappa-m10817.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:08:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|