----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:38:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) Number of symmetry operations in supercell: 432 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.120570366707477 0.000000000000000 0.000000000000000 b -1.560285183353738 2.702493211865596 0.000000000000000 c 0.000000000000000 0.000000000000000 7.545141680000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 *3 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 4 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 *5 O 0.33333333333333 0.66666666666667 0.64862105557946 15.999 6 O 0.66666666666667 0.33333333333333 0.14862105557946 15.999 7 O 0.66666666666667 0.33333333333333 0.35137894442054 15.999 8 O 0.33333333333333 0.66666666666667 0.85137894442054 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.120570366707477 0.000000000000000 0.000000000000000 b -1.560285183353738 2.702493211865596 0.000000000000000 c 0.000000000000000 0.000000000000000 7.545141680000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 2 *3 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 3 4 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 4 *5 O 0.33333333333333 0.66666666666667 0.64862105557946 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.14862105557946 15.999 > 6 7 O 0.66666666666667 0.33333333333333 0.35137894442054 15.999 > 7 8 O 0.33333333333333 0.66666666666667 0.85137894442054 15.999 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.361711100122431 0.000000000000000 0.000000000000000 b -4.680855550061214 8.107479635596789 0.000000000000000 c 0.000000000000000 0.000000000000000 15.090283360000001 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 2 20 Li 0.33333333333333 0.00000000000000 0.25000000000000 6.941 > 2 21 Li 0.66666666666667 0.00000000000000 0.25000000000000 6.941 > 2 22 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 2 23 Li 0.33333333333333 0.33333333333333 0.25000000000000 6.941 > 2 24 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 2 25 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 2 26 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 2 27 Li 0.66666666666667 0.66666666666667 0.25000000000000 6.941 > 2 28 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 2 29 Li 0.33333333333333 0.00000000000000 0.75000000000000 6.941 > 2 30 Li 0.66666666666667 0.00000000000000 0.75000000000000 6.941 > 2 31 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 2 32 Li 0.33333333333333 0.33333333333333 0.75000000000000 6.941 > 2 33 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 2 34 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 2 35 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 2 36 Li 0.66666666666667 0.66666666666667 0.75000000000000 6.941 > 2 *37 Li 0.11111111111111 0.22222222222222 0.12500000000000 6.941 > 3 38 Li 0.44444444444444 0.22222222222222 0.12500000000000 6.941 > 3 39 Li 0.77777777777778 0.22222222222222 0.12500000000000 6.941 > 3 40 Li 0.11111111111111 0.55555555555556 0.12500000000000 6.941 > 3 41 Li 0.44444444444444 0.55555555555556 0.12500000000000 6.941 > 3 42 Li 0.77777777777778 0.55555555555556 0.12500000000000 6.941 > 3 43 Li 0.11111111111111 0.88888888888889 0.12500000000000 6.941 > 3 44 Li 0.44444444444444 0.88888888888889 0.12500000000000 6.941 > 3 45 Li 0.77777777777778 0.88888888888889 0.12500000000000 6.941 > 3 46 Li 0.11111111111111 0.22222222222222 0.62500000000000 6.941 > 3 47 Li 0.44444444444444 0.22222222222222 0.62500000000000 6.941 > 3 48 Li 0.77777777777778 0.22222222222222 0.62500000000000 6.941 > 3 49 Li 0.11111111111111 0.55555555555556 0.62500000000000 6.941 > 3 50 Li 0.44444444444444 0.55555555555556 0.62500000000000 6.941 > 3 51 Li 0.77777777777778 0.55555555555556 0.62500000000000 6.941 > 3 52 Li 0.11111111111111 0.88888888888889 0.62500000000000 6.941 > 3 53 Li 0.44444444444444 0.88888888888889 0.62500000000000 6.941 > 3 54 Li 0.77777777777778 0.88888888888889 0.62500000000000 6.941 > 3 55 Li 0.22222222222222 0.11111111111111 0.37500000000000 6.941 > 4 56 Li 0.55555555555556 0.11111111111111 0.37500000000000 6.941 > 4 57 Li 0.88888888888889 0.11111111111111 0.37500000000000 6.941 > 4 58 Li 0.22222222222222 0.44444444444444 0.37500000000000 6.941 > 4 59 Li 0.55555555555556 0.44444444444444 0.37500000000000 6.941 > 4 60 Li 0.88888888888889 0.44444444444444 0.37500000000000 6.941 > 4 61 Li 0.22222222222222 0.77777777777778 0.37500000000000 6.941 > 4 62 Li 0.55555555555556 0.77777777777778 0.37500000000000 6.941 > 4 63 Li 0.88888888888889 0.77777777777778 0.37500000000000 6.941 > 4 64 Li 0.22222222222222 0.11111111111111 0.87500000000000 6.941 > 4 65 Li 0.55555555555556 0.11111111111111 0.87500000000000 6.941 > 4 66 Li 0.88888888888889 0.11111111111111 0.87500000000000 6.941 > 4 67 Li 0.22222222222222 0.44444444444444 0.87500000000000 6.941 > 4 68 Li 0.55555555555556 0.44444444444444 0.87500000000000 6.941 > 4 69 Li 0.88888888888889 0.44444444444444 0.87500000000000 6.941 > 4 70 Li 0.22222222222222 0.77777777777778 0.87500000000000 6.941 > 4 71 Li 0.55555555555556 0.77777777777778 0.87500000000000 6.941 > 4 72 Li 0.88888888888889 0.77777777777778 0.87500000000000 6.941 > 4 *73 O 0.11111111111111 0.22222222222222 0.32431052778973 15.999 > 5 74 O 0.44444444444444 0.22222222222222 0.32431052778973 15.999 > 5 75 O 0.77777777777778 0.22222222222222 0.32431052778973 15.999 > 5 76 O 0.11111111111111 0.55555555555556 0.32431052778973 15.999 > 5 77 O 0.44444444444444 0.55555555555556 0.32431052778973 15.999 > 5 78 O 0.77777777777778 0.55555555555556 0.32431052778973 15.999 > 5 79 O 0.11111111111111 0.88888888888889 0.32431052778973 15.999 > 5 80 O 0.44444444444444 0.88888888888889 0.32431052778973 15.999 > 5 81 O 0.77777777777778 0.88888888888889 0.32431052778973 15.999 > 5 82 O 0.11111111111111 0.22222222222222 0.82431052778973 15.999 > 5 83 O 0.44444444444444 0.22222222222222 0.82431052778973 15.999 > 5 84 O 0.77777777777778 0.22222222222222 0.82431052778973 15.999 > 5 85 O 0.11111111111111 0.55555555555556 0.82431052778973 15.999 > 5 86 O 0.44444444444444 0.55555555555556 0.82431052778973 15.999 > 5 87 O 0.77777777777778 0.55555555555556 0.82431052778973 15.999 > 5 88 O 0.11111111111111 0.88888888888889 0.82431052778973 15.999 > 5 89 O 0.44444444444444 0.88888888888889 0.82431052778973 15.999 > 5 90 O 0.77777777777778 0.88888888888889 0.82431052778973 15.999 > 5 91 O 0.22222222222222 0.11111111111111 0.07431052778973 15.999 > 6 92 O 0.55555555555556 0.11111111111111 0.07431052778973 15.999 > 6 93 O 0.88888888888889 0.11111111111111 0.07431052778973 15.999 > 6 94 O 0.22222222222222 0.44444444444444 0.07431052778973 15.999 > 6 95 O 0.55555555555556 0.44444444444444 0.07431052778973 15.999 > 6 96 O 0.88888888888889 0.44444444444444 0.07431052778973 15.999 > 6 97 O 0.22222222222222 0.77777777777778 0.07431052778973 15.999 > 6 98 O 0.55555555555556 0.77777777777778 0.07431052778973 15.999 > 6 99 O 0.88888888888889 0.77777777777778 0.07431052778973 15.999 > 6 100 O 0.22222222222222 0.11111111111111 0.57431052778973 15.999 > 6 101 O 0.55555555555556 0.11111111111111 0.57431052778973 15.999 > 6 102 O 0.88888888888889 0.11111111111111 0.57431052778973 15.999 > 6 103 O 0.22222222222222 0.44444444444444 0.57431052778973 15.999 > 6 104 O 0.55555555555556 0.44444444444444 0.57431052778973 15.999 > 6 105 O 0.88888888888889 0.44444444444444 0.57431052778973 15.999 > 6 106 O 0.22222222222222 0.77777777777778 0.57431052778973 15.999 > 6 107 O 0.55555555555556 0.77777777777778 0.57431052778973 15.999 > 6 108 O 0.88888888888889 0.77777777777778 0.57431052778973 15.999 > 6 109 O 0.22222222222222 0.11111111111111 0.17568947221027 15.999 > 7 110 O 0.55555555555556 0.11111111111111 0.17568947221027 15.999 > 7 111 O 0.88888888888889 0.11111111111111 0.17568947221027 15.999 > 7 112 O 0.22222222222222 0.44444444444444 0.17568947221027 15.999 > 7 113 O 0.55555555555556 0.44444444444444 0.17568947221027 15.999 > 7 114 O 0.88888888888889 0.44444444444444 0.17568947221027 15.999 > 7 115 O 0.22222222222222 0.77777777777778 0.17568947221027 15.999 > 7 116 O 0.55555555555556 0.77777777777778 0.17568947221027 15.999 > 7 117 O 0.88888888888889 0.77777777777778 0.17568947221027 15.999 > 7 118 O 0.22222222222222 0.11111111111111 0.67568947221027 15.999 > 7 119 O 0.55555555555556 0.11111111111111 0.67568947221027 15.999 > 7 120 O 0.88888888888889 0.11111111111111 0.67568947221027 15.999 > 7 121 O 0.22222222222222 0.44444444444444 0.67568947221027 15.999 > 7 122 O 0.55555555555556 0.44444444444444 0.67568947221027 15.999 > 7 123 O 0.88888888888889 0.44444444444444 0.67568947221027 15.999 > 7 124 O 0.22222222222222 0.77777777777778 0.67568947221027 15.999 > 7 125 O 0.55555555555556 0.77777777777778 0.67568947221027 15.999 > 7 126 O 0.88888888888889 0.77777777777778 0.67568947221027 15.999 > 7 127 O 0.11111111111111 0.22222222222222 0.42568947221027 15.999 > 8 128 O 0.44444444444444 0.22222222222222 0.42568947221027 15.999 > 8 129 O 0.77777777777778 0.22222222222222 0.42568947221027 15.999 > 8 130 O 0.11111111111111 0.55555555555556 0.42568947221027 15.999 > 8 131 O 0.44444444444444 0.55555555555556 0.42568947221027 15.999 > 8 132 O 0.77777777777778 0.55555555555556 0.42568947221027 15.999 > 8 133 O 0.11111111111111 0.88888888888889 0.42568947221027 15.999 > 8 134 O 0.44444444444444 0.88888888888889 0.42568947221027 15.999 > 8 135 O 0.77777777777778 0.88888888888889 0.42568947221027 15.999 > 8 136 O 0.11111111111111 0.22222222222222 0.92568947221027 15.999 > 8 137 O 0.44444444444444 0.22222222222222 0.92568947221027 15.999 > 8 138 O 0.77777777777778 0.22222222222222 0.92568947221027 15.999 > 8 139 O 0.11111111111111 0.55555555555556 0.92568947221027 15.999 > 8 140 O 0.44444444444444 0.55555555555556 0.92568947221027 15.999 > 8 141 O 0.77777777777778 0.55555555555556 0.92568947221027 15.999 > 8 142 O 0.11111111111111 0.88888888888889 0.92568947221027 15.999 > 8 143 O 0.44444444444444 0.88888888888889 0.92568947221027 15.999 > 8 144 O 0.77777777777778 0.88888888888889 0.92568947221027 15.999 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8089705 -0.0000000 0.0000000 0.0000000 2.8089705 0.0000000 0.0000000 0.0000000 4.0471319 -------------------------- Born effective charges -------------------------- 1 Li 1.0665145 0.0000000 0.0000000 -0.0000000 1.0665145 0.0000000 0.0000000 0.0000000 1.2399192 2 Li 1.0665145 0.0000000 0.0000000 -0.0000000 1.0665145 0.0000000 0.0000000 0.0000000 1.2399192 3 Li 1.0404876 0.0000000 0.0000000 -0.0000000 1.0404876 0.0000000 0.0000000 0.0000000 0.7010101 4 Li 1.0404876 0.0000000 0.0000000 -0.0000000 1.0404876 0.0000000 0.0000000 0.0000000 0.7010101 5 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 6 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 7 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 8 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 ---------------------------------------------------------------------------- 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: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 283 Number of blocks in projector: 253 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 129 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 83 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 71 Use standard eigh solver. Tree of FC basis block matrices: - (283, 277), data: False |-- (71, 68), data: True |-- (83, 83), data: True |-- (129, 126), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 80 / 80 - Time: 0.232 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.247 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 283 Number of blocks in projector: 253 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 129 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 83 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 71 Use standard eigh solver. Tree of FC basis block matrices: - (283, 277), data: False |-- (71, 68), data: True |-- (83, 83), data: True |-- (129, 126), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 18:38:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:38:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.120570366707477 0.000000000000000 0.000000000000000 b -1.560285183353738 2.702493211865596 0.000000000000000 c 0.000000000000000 0.000000000000000 7.545141680000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 4 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 5 O 0.33333333333333 0.66666666666667 0.64862105557946 15.999 6 O 0.66666666666667 0.33333333333333 0.14862105557946 15.999 7 O 0.66666666666667 0.33333333333333 0.35137894442054 15.999 8 O 0.33333333333333 0.66666666666667 0.85137894442054 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.361711100122431 0.000000000000000 0.000000000000000 b -4.680855550061214 8.107479635596789 0.000000000000000 c 0.000000000000000 0.000000000000000 15.090283360000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.25000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.25000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.25000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.25000000000000 6.941 > 19 28 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 19 29 Li 0.33333333333333 0.00000000000000 0.75000000000000 6.941 > 19 30 Li 0.66666666666667 0.00000000000000 0.75000000000000 6.941 > 19 31 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 19 32 Li 0.33333333333333 0.33333333333333 0.75000000000000 6.941 > 19 33 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 19 34 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 19 35 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 19 36 Li 0.66666666666667 0.66666666666667 0.75000000000000 6.941 > 19 37 Li 0.11111111111111 0.22222222222222 0.12500000000000 6.941 > 37 38 Li 0.44444444444444 0.22222222222222 0.12500000000000 6.941 > 37 39 Li 0.77777777777778 0.22222222222222 0.12500000000000 6.941 > 37 40 Li 0.11111111111111 0.55555555555556 0.12500000000000 6.941 > 37 41 Li 0.44444444444444 0.55555555555556 0.12500000000000 6.941 > 37 42 Li 0.77777777777778 0.55555555555556 0.12500000000000 6.941 > 37 43 Li 0.11111111111111 0.88888888888889 0.12500000000000 6.941 > 37 44 Li 0.44444444444444 0.88888888888889 0.12500000000000 6.941 > 37 45 Li 0.77777777777778 0.88888888888889 0.12500000000000 6.941 > 37 46 Li 0.11111111111111 0.22222222222222 0.62500000000000 6.941 > 37 47 Li 0.44444444444444 0.22222222222222 0.62500000000000 6.941 > 37 48 Li 0.77777777777778 0.22222222222222 0.62500000000000 6.941 > 37 49 Li 0.11111111111111 0.55555555555556 0.62500000000000 6.941 > 37 50 Li 0.44444444444444 0.55555555555556 0.62500000000000 6.941 > 37 51 Li 0.77777777777778 0.55555555555556 0.62500000000000 6.941 > 37 52 Li 0.11111111111111 0.88888888888889 0.62500000000000 6.941 > 37 53 Li 0.44444444444444 0.88888888888889 0.62500000000000 6.941 > 37 54 Li 0.77777777777778 0.88888888888889 0.62500000000000 6.941 > 37 55 Li 0.22222222222222 0.11111111111111 0.37500000000000 6.941 > 55 56 Li 0.55555555555556 0.11111111111111 0.37500000000000 6.941 > 55 57 Li 0.88888888888889 0.11111111111111 0.37500000000000 6.941 > 55 58 Li 0.22222222222222 0.44444444444444 0.37500000000000 6.941 > 55 59 Li 0.55555555555556 0.44444444444444 0.37500000000000 6.941 > 55 60 Li 0.88888888888889 0.44444444444444 0.37500000000000 6.941 > 55 61 Li 0.22222222222222 0.77777777777778 0.37500000000000 6.941 > 55 62 Li 0.55555555555556 0.77777777777778 0.37500000000000 6.941 > 55 63 Li 0.88888888888889 0.77777777777778 0.37500000000000 6.941 > 55 64 Li 0.22222222222222 0.11111111111111 0.87500000000000 6.941 > 55 65 Li 0.55555555555556 0.11111111111111 0.87500000000000 6.941 > 55 66 Li 0.88888888888889 0.11111111111111 0.87500000000000 6.941 > 55 67 Li 0.22222222222222 0.44444444444444 0.87500000000000 6.941 > 55 68 Li 0.55555555555556 0.44444444444444 0.87500000000000 6.941 > 55 69 Li 0.88888888888889 0.44444444444444 0.87500000000000 6.941 > 55 70 Li 0.22222222222222 0.77777777777778 0.87500000000000 6.941 > 55 71 Li 0.55555555555556 0.77777777777778 0.87500000000000 6.941 > 55 72 Li 0.88888888888889 0.77777777777778 0.87500000000000 6.941 > 55 73 O 0.11111111111111 0.22222222222222 0.32431052778973 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.32431052778973 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.32431052778973 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.32431052778973 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.32431052778973 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.32431052778973 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.32431052778973 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.32431052778973 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.32431052778973 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.82431052778973 15.999 > 73 83 O 0.44444444444444 0.22222222222222 0.82431052778973 15.999 > 73 84 O 0.77777777777778 0.22222222222222 0.82431052778973 15.999 > 73 85 O 0.11111111111111 0.55555555555556 0.82431052778973 15.999 > 73 86 O 0.44444444444444 0.55555555555556 0.82431052778973 15.999 > 73 87 O 0.77777777777778 0.55555555555556 0.82431052778973 15.999 > 73 88 O 0.11111111111111 0.88888888888889 0.82431052778973 15.999 > 73 89 O 0.44444444444444 0.88888888888889 0.82431052778973 15.999 > 73 90 O 0.77777777777778 0.88888888888889 0.82431052778973 15.999 > 73 91 O 0.22222222222222 0.11111111111111 0.07431052778973 15.999 > 91 92 O 0.55555555555556 0.11111111111111 0.07431052778973 15.999 > 91 93 O 0.88888888888889 0.11111111111111 0.07431052778973 15.999 > 91 94 O 0.22222222222222 0.44444444444444 0.07431052778973 15.999 > 91 95 O 0.55555555555556 0.44444444444444 0.07431052778973 15.999 > 91 96 O 0.88888888888889 0.44444444444444 0.07431052778973 15.999 > 91 97 O 0.22222222222222 0.77777777777778 0.07431052778973 15.999 > 91 98 O 0.55555555555556 0.77777777777778 0.07431052778973 15.999 > 91 99 O 0.88888888888889 0.77777777777778 0.07431052778973 15.999 > 91 100 O 0.22222222222222 0.11111111111111 0.57431052778973 15.999 > 91 101 O 0.55555555555556 0.11111111111111 0.57431052778973 15.999 > 91 102 O 0.88888888888889 0.11111111111111 0.57431052778973 15.999 > 91 103 O 0.22222222222222 0.44444444444444 0.57431052778973 15.999 > 91 104 O 0.55555555555556 0.44444444444444 0.57431052778973 15.999 > 91 105 O 0.88888888888889 0.44444444444444 0.57431052778973 15.999 > 91 106 O 0.22222222222222 0.77777777777778 0.57431052778973 15.999 > 91 107 O 0.55555555555556 0.77777777777778 0.57431052778973 15.999 > 91 108 O 0.88888888888889 0.77777777777778 0.57431052778973 15.999 > 91 109 O 0.22222222222222 0.11111111111111 0.17568947221027 15.999 > 109 110 O 0.55555555555556 0.11111111111111 0.17568947221027 15.999 > 109 111 O 0.88888888888889 0.11111111111111 0.17568947221027 15.999 > 109 112 O 0.22222222222222 0.44444444444444 0.17568947221027 15.999 > 109 113 O 0.55555555555556 0.44444444444444 0.17568947221027 15.999 > 109 114 O 0.88888888888889 0.44444444444444 0.17568947221027 15.999 > 109 115 O 0.22222222222222 0.77777777777778 0.17568947221027 15.999 > 109 116 O 0.55555555555556 0.77777777777778 0.17568947221027 15.999 > 109 117 O 0.88888888888889 0.77777777777778 0.17568947221027 15.999 > 109 118 O 0.22222222222222 0.11111111111111 0.67568947221027 15.999 > 109 119 O 0.55555555555556 0.11111111111111 0.67568947221027 15.999 > 109 120 O 0.88888888888889 0.11111111111111 0.67568947221027 15.999 > 109 121 O 0.22222222222222 0.44444444444444 0.67568947221027 15.999 > 109 122 O 0.55555555555556 0.44444444444444 0.67568947221027 15.999 > 109 123 O 0.88888888888889 0.44444444444444 0.67568947221027 15.999 > 109 124 O 0.22222222222222 0.77777777777778 0.67568947221027 15.999 > 109 125 O 0.55555555555556 0.77777777777778 0.67568947221027 15.999 > 109 126 O 0.88888888888889 0.77777777777778 0.67568947221027 15.999 > 109 127 O 0.11111111111111 0.22222222222222 0.42568947221027 15.999 > 127 128 O 0.44444444444444 0.22222222222222 0.42568947221027 15.999 > 127 129 O 0.77777777777778 0.22222222222222 0.42568947221027 15.999 > 127 130 O 0.11111111111111 0.55555555555556 0.42568947221027 15.999 > 127 131 O 0.44444444444444 0.55555555555556 0.42568947221027 15.999 > 127 132 O 0.77777777777778 0.55555555555556 0.42568947221027 15.999 > 127 133 O 0.11111111111111 0.88888888888889 0.42568947221027 15.999 > 127 134 O 0.44444444444444 0.88888888888889 0.42568947221027 15.999 > 127 135 O 0.77777777777778 0.88888888888889 0.42568947221027 15.999 > 127 136 O 0.11111111111111 0.22222222222222 0.92568947221027 15.999 > 127 137 O 0.44444444444444 0.22222222222222 0.92568947221027 15.999 > 127 138 O 0.77777777777778 0.22222222222222 0.92568947221027 15.999 > 127 139 O 0.11111111111111 0.55555555555556 0.92568947221027 15.999 > 127 140 O 0.44444444444444 0.55555555555556 0.92568947221027 15.999 > 127 141 O 0.77777777777778 0.55555555555556 0.92568947221027 15.999 > 127 142 O 0.11111111111111 0.88888888888889 0.92568947221027 15.999 > 127 143 O 0.44444444444444 0.88888888888889 0.92568947221027 15.999 > 127 144 O 0.77777777777778 0.88888888888889 0.92568947221027 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8089705 -0.0000000 0.0000000 0.0000000 2.8089705 0.0000000 0.0000000 0.0000000 4.0471319 -------------------------- Born effective charges -------------------------- 1 Li 1.0665145 0.0000000 0.0000000 -0.0000000 1.0665145 0.0000000 0.0000000 0.0000000 1.2399192 2 Li 1.0665145 0.0000000 0.0000000 -0.0000000 1.0665145 0.0000000 0.0000000 0.0000000 1.2399192 3 Li 1.0404876 0.0000000 0.0000000 -0.0000000 1.0404876 0.0000000 0.0000000 0.0000000 0.7010101 4 Li 1.0404876 0.0000000 0.0000000 -0.0000000 1.0404876 0.0000000 0.0000000 0.0000000 0.7010101 5 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 6 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 7 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 8 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:39:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:39:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.120570366707477 0.000000000000000 0.000000000000000 b -1.560285183353738 2.702493211865596 0.000000000000000 c 0.000000000000000 0.000000000000000 7.545141680000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 3 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 4 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 5 O 0.33333333333333 0.66666666666667 0.64862105557946 15.999 6 O 0.66666666666667 0.33333333333333 0.14862105557946 15.999 7 O 0.66666666666667 0.33333333333333 0.35137894442054 15.999 8 O 0.33333333333333 0.66666666666667 0.85137894442054 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.361711100122431 0.000000000000000 0.000000000000000 b -4.680855550061214 8.107479635596789 0.000000000000000 c 0.000000000000000 0.000000000000000 15.090283360000001 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.33333333333333 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.66666666666667 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 1 5 Li 0.33333333333333 0.33333333333333 0.00000000000000 6.941 > 1 6 Li 0.66666666666667 0.33333333333333 0.00000000000000 6.941 > 1 7 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 1 8 Li 0.33333333333333 0.66666666666667 0.00000000000000 6.941 > 1 9 Li 0.66666666666667 0.66666666666667 0.00000000000000 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 11 Li 0.33333333333333 0.00000000000000 0.50000000000000 6.941 > 1 12 Li 0.66666666666667 0.00000000000000 0.50000000000000 6.941 > 1 13 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 1 14 Li 0.33333333333333 0.33333333333333 0.50000000000000 6.941 > 1 15 Li 0.66666666666667 0.33333333333333 0.50000000000000 6.941 > 1 16 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 1 17 Li 0.33333333333333 0.66666666666667 0.50000000000000 6.941 > 1 18 Li 0.66666666666667 0.66666666666667 0.50000000000000 6.941 > 1 19 Li 0.00000000000000 0.00000000000000 0.25000000000000 6.941 > 19 20 Li 0.33333333333333 0.00000000000000 0.25000000000000 6.941 > 19 21 Li 0.66666666666667 0.00000000000000 0.25000000000000 6.941 > 19 22 Li 0.00000000000000 0.33333333333333 0.25000000000000 6.941 > 19 23 Li 0.33333333333333 0.33333333333333 0.25000000000000 6.941 > 19 24 Li 0.66666666666667 0.33333333333333 0.25000000000000 6.941 > 19 25 Li 0.00000000000000 0.66666666666667 0.25000000000000 6.941 > 19 26 Li 0.33333333333333 0.66666666666667 0.25000000000000 6.941 > 19 27 Li 0.66666666666667 0.66666666666667 0.25000000000000 6.941 > 19 28 Li 0.00000000000000 0.00000000000000 0.75000000000000 6.941 > 19 29 Li 0.33333333333333 0.00000000000000 0.75000000000000 6.941 > 19 30 Li 0.66666666666667 0.00000000000000 0.75000000000000 6.941 > 19 31 Li 0.00000000000000 0.33333333333333 0.75000000000000 6.941 > 19 32 Li 0.33333333333333 0.33333333333333 0.75000000000000 6.941 > 19 33 Li 0.66666666666667 0.33333333333333 0.75000000000000 6.941 > 19 34 Li 0.00000000000000 0.66666666666667 0.75000000000000 6.941 > 19 35 Li 0.33333333333333 0.66666666666667 0.75000000000000 6.941 > 19 36 Li 0.66666666666667 0.66666666666667 0.75000000000000 6.941 > 19 37 Li 0.11111111111111 0.22222222222222 0.12500000000000 6.941 > 37 38 Li 0.44444444444444 0.22222222222222 0.12500000000000 6.941 > 37 39 Li 0.77777777777778 0.22222222222222 0.12500000000000 6.941 > 37 40 Li 0.11111111111111 0.55555555555556 0.12500000000000 6.941 > 37 41 Li 0.44444444444444 0.55555555555556 0.12500000000000 6.941 > 37 42 Li 0.77777777777778 0.55555555555556 0.12500000000000 6.941 > 37 43 Li 0.11111111111111 0.88888888888889 0.12500000000000 6.941 > 37 44 Li 0.44444444444444 0.88888888888889 0.12500000000000 6.941 > 37 45 Li 0.77777777777778 0.88888888888889 0.12500000000000 6.941 > 37 46 Li 0.11111111111111 0.22222222222222 0.62500000000000 6.941 > 37 47 Li 0.44444444444444 0.22222222222222 0.62500000000000 6.941 > 37 48 Li 0.77777777777778 0.22222222222222 0.62500000000000 6.941 > 37 49 Li 0.11111111111111 0.55555555555556 0.62500000000000 6.941 > 37 50 Li 0.44444444444444 0.55555555555556 0.62500000000000 6.941 > 37 51 Li 0.77777777777778 0.55555555555556 0.62500000000000 6.941 > 37 52 Li 0.11111111111111 0.88888888888889 0.62500000000000 6.941 > 37 53 Li 0.44444444444444 0.88888888888889 0.62500000000000 6.941 > 37 54 Li 0.77777777777778 0.88888888888889 0.62500000000000 6.941 > 37 55 Li 0.22222222222222 0.11111111111111 0.37500000000000 6.941 > 55 56 Li 0.55555555555556 0.11111111111111 0.37500000000000 6.941 > 55 57 Li 0.88888888888889 0.11111111111111 0.37500000000000 6.941 > 55 58 Li 0.22222222222222 0.44444444444444 0.37500000000000 6.941 > 55 59 Li 0.55555555555556 0.44444444444444 0.37500000000000 6.941 > 55 60 Li 0.88888888888889 0.44444444444444 0.37500000000000 6.941 > 55 61 Li 0.22222222222222 0.77777777777778 0.37500000000000 6.941 > 55 62 Li 0.55555555555556 0.77777777777778 0.37500000000000 6.941 > 55 63 Li 0.88888888888889 0.77777777777778 0.37500000000000 6.941 > 55 64 Li 0.22222222222222 0.11111111111111 0.87500000000000 6.941 > 55 65 Li 0.55555555555556 0.11111111111111 0.87500000000000 6.941 > 55 66 Li 0.88888888888889 0.11111111111111 0.87500000000000 6.941 > 55 67 Li 0.22222222222222 0.44444444444444 0.87500000000000 6.941 > 55 68 Li 0.55555555555556 0.44444444444444 0.87500000000000 6.941 > 55 69 Li 0.88888888888889 0.44444444444444 0.87500000000000 6.941 > 55 70 Li 0.22222222222222 0.77777777777778 0.87500000000000 6.941 > 55 71 Li 0.55555555555556 0.77777777777778 0.87500000000000 6.941 > 55 72 Li 0.88888888888889 0.77777777777778 0.87500000000000 6.941 > 55 73 O 0.11111111111111 0.22222222222222 0.32431052778973 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.32431052778973 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.32431052778973 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.32431052778973 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.32431052778973 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.32431052778973 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.32431052778973 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.32431052778973 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.32431052778973 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.82431052778973 15.999 > 73 83 O 0.44444444444444 0.22222222222222 0.82431052778973 15.999 > 73 84 O 0.77777777777778 0.22222222222222 0.82431052778973 15.999 > 73 85 O 0.11111111111111 0.55555555555556 0.82431052778973 15.999 > 73 86 O 0.44444444444444 0.55555555555556 0.82431052778973 15.999 > 73 87 O 0.77777777777778 0.55555555555556 0.82431052778973 15.999 > 73 88 O 0.11111111111111 0.88888888888889 0.82431052778973 15.999 > 73 89 O 0.44444444444444 0.88888888888889 0.82431052778973 15.999 > 73 90 O 0.77777777777778 0.88888888888889 0.82431052778973 15.999 > 73 91 O 0.22222222222222 0.11111111111111 0.07431052778973 15.999 > 91 92 O 0.55555555555556 0.11111111111111 0.07431052778973 15.999 > 91 93 O 0.88888888888889 0.11111111111111 0.07431052778973 15.999 > 91 94 O 0.22222222222222 0.44444444444444 0.07431052778973 15.999 > 91 95 O 0.55555555555556 0.44444444444444 0.07431052778973 15.999 > 91 96 O 0.88888888888889 0.44444444444444 0.07431052778973 15.999 > 91 97 O 0.22222222222222 0.77777777777778 0.07431052778973 15.999 > 91 98 O 0.55555555555556 0.77777777777778 0.07431052778973 15.999 > 91 99 O 0.88888888888889 0.77777777777778 0.07431052778973 15.999 > 91 100 O 0.22222222222222 0.11111111111111 0.57431052778973 15.999 > 91 101 O 0.55555555555556 0.11111111111111 0.57431052778973 15.999 > 91 102 O 0.88888888888889 0.11111111111111 0.57431052778973 15.999 > 91 103 O 0.22222222222222 0.44444444444444 0.57431052778973 15.999 > 91 104 O 0.55555555555556 0.44444444444444 0.57431052778973 15.999 > 91 105 O 0.88888888888889 0.44444444444444 0.57431052778973 15.999 > 91 106 O 0.22222222222222 0.77777777777778 0.57431052778973 15.999 > 91 107 O 0.55555555555556 0.77777777777778 0.57431052778973 15.999 > 91 108 O 0.88888888888889 0.77777777777778 0.57431052778973 15.999 > 91 109 O 0.22222222222222 0.11111111111111 0.17568947221027 15.999 > 109 110 O 0.55555555555556 0.11111111111111 0.17568947221027 15.999 > 109 111 O 0.88888888888889 0.11111111111111 0.17568947221027 15.999 > 109 112 O 0.22222222222222 0.44444444444444 0.17568947221027 15.999 > 109 113 O 0.55555555555556 0.44444444444444 0.17568947221027 15.999 > 109 114 O 0.88888888888889 0.44444444444444 0.17568947221027 15.999 > 109 115 O 0.22222222222222 0.77777777777778 0.17568947221027 15.999 > 109 116 O 0.55555555555556 0.77777777777778 0.17568947221027 15.999 > 109 117 O 0.88888888888889 0.77777777777778 0.17568947221027 15.999 > 109 118 O 0.22222222222222 0.11111111111111 0.67568947221027 15.999 > 109 119 O 0.55555555555556 0.11111111111111 0.67568947221027 15.999 > 109 120 O 0.88888888888889 0.11111111111111 0.67568947221027 15.999 > 109 121 O 0.22222222222222 0.44444444444444 0.67568947221027 15.999 > 109 122 O 0.55555555555556 0.44444444444444 0.67568947221027 15.999 > 109 123 O 0.88888888888889 0.44444444444444 0.67568947221027 15.999 > 109 124 O 0.22222222222222 0.77777777777778 0.67568947221027 15.999 > 109 125 O 0.55555555555556 0.77777777777778 0.67568947221027 15.999 > 109 126 O 0.88888888888889 0.77777777777778 0.67568947221027 15.999 > 109 127 O 0.11111111111111 0.22222222222222 0.42568947221027 15.999 > 127 128 O 0.44444444444444 0.22222222222222 0.42568947221027 15.999 > 127 129 O 0.77777777777778 0.22222222222222 0.42568947221027 15.999 > 127 130 O 0.11111111111111 0.55555555555556 0.42568947221027 15.999 > 127 131 O 0.44444444444444 0.55555555555556 0.42568947221027 15.999 > 127 132 O 0.77777777777778 0.55555555555556 0.42568947221027 15.999 > 127 133 O 0.11111111111111 0.88888888888889 0.42568947221027 15.999 > 127 134 O 0.44444444444444 0.88888888888889 0.42568947221027 15.999 > 127 135 O 0.77777777777778 0.88888888888889 0.42568947221027 15.999 > 127 136 O 0.11111111111111 0.22222222222222 0.92568947221027 15.999 > 127 137 O 0.44444444444444 0.22222222222222 0.92568947221027 15.999 > 127 138 O 0.77777777777778 0.22222222222222 0.92568947221027 15.999 > 127 139 O 0.11111111111111 0.55555555555556 0.92568947221027 15.999 > 127 140 O 0.44444444444444 0.55555555555556 0.92568947221027 15.999 > 127 141 O 0.77777777777778 0.55555555555556 0.92568947221027 15.999 > 127 142 O 0.11111111111111 0.88888888888889 0.92568947221027 15.999 > 127 143 O 0.44444444444444 0.88888888888889 0.92568947221027 15.999 > 127 144 O 0.77777777777778 0.88888888888889 0.92568947221027 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8089705 -0.0000000 0.0000000 0.0000000 2.8089705 0.0000000 0.0000000 0.0000000 4.0471319 -------------------------- Born effective charges -------------------------- 1 Li 1.0665145 0.0000000 0.0000000 -0.0000000 1.0665145 0.0000000 0.0000000 0.0000000 1.2399192 2 Li 1.0665145 0.0000000 0.0000000 -0.0000000 1.0665145 0.0000000 0.0000000 0.0000000 1.2399192 3 Li 1.0404876 0.0000000 0.0000000 -0.0000000 1.0404876 0.0000000 0.0000000 0.0000000 0.7010101 4 Li 1.0404876 0.0000000 0.0000000 -0.0000000 1.0404876 0.0000000 0.0000000 0.0000000 0.7010101 5 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 6 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 7 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 8 O -1.0535011 -0.0000000 0.0000000 0.0000000 -1.0535011 0.0000000 0.0000000 0.0000000 -0.9704646 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 19 19 7 ] 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: 1.04, Number of G-points: 309, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 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 3.986 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 14.533 ( 0.000 0.000 0.000) 0.000 15.248 ( 0.000 0.000 0.000) 0.000 15.749 ( 0.000 0.000 0.000) 0.000 15.804 ( 0.000 0.000 0.000) 0.000 15.804 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 15.815 ( 0.000 0.000 0.000) 0.000 23.820 ( 0.000 0.000 0.000) 0.000 24.824 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.05 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 35.126 20.280 0.000) 40.560 0.891 ( 39.503 22.807 0.000) 45.614 1.614 ( 71.501 41.281 0.000) 82.562 4.043 ( 5.063 2.923 0.000) 5.847 4.299 ( 26.626 15.372 0.000) 30.745 5.849 ( 5.214 3.010 0.000) 6.021 5.903 ( 9.673 5.585 0.000) 11.170 7.896 ( -0.098 -0.057 0.000) 0.114 8.196 ( -2.737 -1.580 0.000) 3.161 8.311 ( 3.247 1.875 0.000) 3.749 8.609 ( 15.412 8.898 0.000) 17.796 9.655 ( -1.216 -0.702 0.000) 1.404 10.557 ( 1.296 0.748 0.000) 1.497 10.567 ( 2.167 1.251 0.000) 2.503 12.051 ( 0.194 0.112 0.000) 0.223 14.540 ( 0.631 0.364 0.000) 0.728 14.614 ( -37.585 -21.700 0.000) 43.400 15.677 ( -6.357 -3.670 0.000) 7.340 15.803 ( 0.390 0.225 0.000) 0.450 15.841 ( 1.812 1.046 0.000) 2.093 16.379 ( 31.511 18.193 0.000) 36.385 20.570 ( -4.083 -2.357 0.000) 4.715 23.824 ( 0.363 0.209 0.000) 0.419 24.814 ( -0.905 -0.522 0.000) 1.045 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 35.105 20.268 0.000) 40.535 1.774 ( 38.891 22.454 0.000) 44.907 3.209 ( 70.233 40.549 0.000) 81.099 4.213 ( 9.994 5.770 0.000) 11.540 5.107 ( 43.519 25.125 0.000) 50.251 6.019 ( 9.704 5.602 0.000) 11.205 6.193 ( 15.175 8.761 0.000) 17.523 7.900 ( 0.723 0.417 0.000) 0.835 8.172 ( 0.413 0.239 0.000) 0.477 8.416 ( 6.029 3.481 0.000) 6.962 9.039 ( 22.536 13.011 0.000) 26.023 9.617 ( -2.099 -1.212 0.000) 2.424 10.599 ( 2.412 1.393 0.000) 2.785 10.640 ( 4.301 2.483 0.000) 4.966 12.040 ( -1.872 -1.081 0.000) 2.162 13.756 ( -37.449 -21.621 0.000) 43.242 14.561 ( 1.153 0.666 0.000) 1.331 15.467 ( -12.167 -7.025 0.000) 14.049 15.821 ( 1.078 0.622 0.000) 1.245 15.888 ( 2.320 1.340 0.000) 2.679 17.046 ( 27.054 15.620 0.000) 31.239 20.437 ( -7.689 -4.439 0.000) 8.879 23.836 ( 0.802 0.463 0.000) 0.927 24.784 ( -1.733 -1.000 0.000) 2.001 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.16 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 34.469 19.900 0.000) 39.801 2.637 ( 37.792 21.819 0.000) 43.638 4.489 ( 14.374 8.299 0.000) 16.597 4.763 ( 67.655 39.061 0.000) 78.122 6.187 ( 51.268 29.600 0.000) 59.200 6.276 ( 12.945 7.474 0.000) 14.947 6.533 ( 13.780 7.956 0.000) 15.911 7.947 ( 3.870 2.234 0.000) 4.469 8.204 ( 2.302 1.329 0.000) 2.658 8.576 ( 7.984 4.609 0.000) 9.219 9.564 ( -2.608 -1.506 0.000) 3.012 9.602 ( 26.918 15.541 0.000) 31.082 10.663 ( 3.197 1.846 0.000) 3.692 10.764 ( 6.886 3.975 0.000) 7.951 11.902 ( -12.876 -7.434 0.000) 14.868 13.013 ( -25.785 -14.887 0.000) 29.774 14.586 ( 0.690 0.399 0.000) 0.797 15.141 ( -16.301 -9.411 0.000) 18.822 15.845 ( 0.869 0.501 0.000) 1.003 15.940 ( 2.222 1.283 0.000) 2.566 17.573 ( 19.410 11.206 0.000) 22.413 20.233 ( -10.187 -5.881 0.000) 11.763 23.860 ( 1.317 0.760 0.000) 1.520 24.737 ( -2.415 -1.394 0.000) 2.788 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 32.864 18.974 0.000) 37.949 3.469 ( 36.063 20.821 0.000) 41.642 4.850 ( 17.516 10.113 0.000) 20.226 6.236 ( 62.885 36.307 0.000) 72.614 6.590 ( 14.679 8.475 0.000) 16.950 6.770 ( 6.890 3.978 0.000) 7.956 7.371 ( 53.291 30.767 0.000) 61.535 8.069 ( 5.675 3.277 0.000) 6.553 8.285 ( 5.926 3.422 0.000) 6.843 8.768 ( 8.915 5.147 0.000) 10.294 9.501 ( -2.979 -1.720 0.000) 3.440 10.225 ( 27.912 16.115 0.000) 32.230 10.740 ( 3.558 2.054 0.000) 4.109 10.958 ( 10.578 6.107 0.000) 12.215 11.407 ( -28.947 -16.712 0.000) 33.425 12.669 ( -6.478 -3.740 0.000) 7.480 14.517 ( -11.148 -6.436 0.000) 12.873 14.814 ( -8.297 -4.790 0.000) 9.580 15.854 ( -0.196 -0.113 0.000) 0.226 15.985 ( 1.664 0.961 0.000) 1.922 17.901 ( 9.315 5.378 0.000) 10.756 19.993 ( -10.759 -6.212 0.000) 12.423 23.896 ( 1.806 1.043 0.000) 2.086 24.677 ( -2.896 -1.672 0.000) 3.344 ======================= Grid point 5 (6/160) ======================= q-point: ( 0.26 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 30.288 17.487 0.000) 34.974 4.252 ( 33.463 19.320 0.000) 38.640 5.262 ( 18.761 10.832 0.000) 21.663 6.852 ( 1.041 0.601 0.000) 1.202 6.925 ( 14.854 8.576 0.000) 17.152 7.557 ( 53.428 30.847 0.000) 61.693 8.119 ( -1.467 -0.847 0.000) 1.694 8.523 ( 14.734 8.507 0.000) 17.014 8.555 ( 51.452 29.706 0.000) 59.411 8.969 ( 8.797 5.079 0.000) 10.158 9.429 ( -3.469 -2.003 0.000) 4.005 10.745 ( -27.103 -15.648 0.000) 31.296 10.820 ( 3.478 2.008 0.000) 4.016 10.831 ( 25.490 14.717 0.000) 29.434 11.244 ( 14.862 8.580 0.000) 17.161 12.614 ( 0.114 0.066 0.000) 0.131 14.087 ( -23.368 -13.491 0.000) 26.983 14.772 ( 0.989 0.571 0.000) 1.142 15.834 ( -1.503 -0.868 0.000) 1.735 16.012 ( 0.751 0.433 0.000) 0.867 17.980 ( -2.353 -1.359 0.000) 2.717 19.765 ( -9.235 -5.332 0.000) 10.664 23.940 ( 2.138 1.234 0.000) 2.469 24.609 ( -3.138 -1.812 0.000) 3.624 ======================= Grid point 6 (7/160) ======================= q-point: ( 0.32 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.479 ( 26.969 15.571 0.000) 31.141 4.965 ( 29.643 17.114 0.000) 34.229 5.677 ( 17.749 10.247 0.000) 20.495 6.843 ( -1.384 -0.799 0.000) 1.599 7.247 ( 13.536 7.815 0.000) 15.630 8.022 ( -6.914 -3.992 0.000) 7.984 8.531 ( 29.039 16.766 0.000) 33.532 8.906 ( 18.876 10.898 0.000) 21.797 9.157 ( 7.749 4.474 0.000) 8.947 9.344 ( -4.088 -2.360 0.000) 4.720 9.651 ( 44.638 25.772 0.000) 51.544 10.334 ( -4.445 -2.566 0.000) 5.132 10.894 ( 3.014 1.740 0.000) 3.480 11.346 ( 19.702 11.375 0.000) 22.750 11.615 ( 17.555 10.136 0.000) 20.271 12.647 ( 2.767 1.598 0.000) 3.196 13.537 ( -24.799 -14.318 0.000) 28.635 14.800 ( 1.145 0.661 0.000) 1.322 15.789 ( -2.400 -1.386 0.000) 2.771 16.018 ( -0.259 -0.150 0.000) 0.299 17.808 ( -12.283 -7.092 0.000) 14.183 19.579 ( -7.525 -4.345 0.000) 8.689 23.990 ( 2.227 1.286 0.000) 2.572 24.538 ( -3.117 -1.800 0.000) 3.599 ======================= Grid point 7 (8/160) ======================= q-point: ( 0.37 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.042 ( 22.987 13.272 0.000) 26.544 5.573 ( 24.143 13.939 0.000) 27.878 6.044 ( 14.492 8.367 0.000) 16.734 6.805 ( -1.814 -1.048 0.000) 2.095 7.523 ( 10.861 6.270 0.000) 12.541 7.822 ( -10.438 -6.027 0.000) 12.053 8.757 ( -4.696 -2.711 0.000) 5.422 9.247 ( -4.461 -2.576 0.000) 5.151 9.312 ( 5.981 3.453 0.000) 6.906 9.361 ( 21.331 12.316 0.000) 24.631 10.429 ( 26.101 15.070 0.000) 30.139 10.747 ( 34.326 19.818 0.000) 39.636 10.953 ( 2.280 1.316 0.000) 2.632 11.687 ( 9.520 5.496 0.000) 10.992 12.002 ( 16.179 9.341 0.000) 18.681 12.743 ( 5.968 3.446 0.000) 6.892 13.012 ( -20.486 -11.828 0.000) 23.655 14.817 ( 0.357 0.206 0.000) 0.412 15.732 ( -2.529 -1.460 0.000) 2.920 16.003 ( -0.959 -0.553 0.000) 1.107 17.466 ( -17.127 -9.888 0.000) 19.777 19.418 ( -6.891 -3.979 0.000) 7.957 24.038 ( 2.055 1.186 0.000) 2.373 24.471 ( -2.797 -1.615 0.000) 3.230 ======================= Grid point 8 (9/160) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.502 ( 17.441 10.070 0.000) 20.139 6.034 ( 16.436 9.489 0.000) 18.978 6.314 ( 9.316 5.379 0.000) 10.757 6.768 ( -1.365 -0.788 0.000) 1.576 7.576 ( -10.776 -6.222 0.000) 12.443 7.727 ( 7.047 4.068 0.000) 8.137 8.573 ( -8.590 -4.959 0.000) 9.919 9.151 ( -3.841 -2.217 0.000) 4.435 9.422 ( 3.745 2.162 0.000) 4.324 9.852 ( 21.798 12.585 0.000) 25.170 10.938 ( 17.728 10.235 0.000) 20.470 10.995 ( 1.401 0.809 0.000) 1.617 11.459 ( 26.297 15.183 0.000) 30.366 11.699 ( -9.087 -5.247 0.000) 10.493 12.320 ( 11.780 6.801 0.000) 13.603 12.698 ( -6.574 -3.795 0.000) 7.591 12.913 ( 8.628 4.981 0.000) 9.962 14.817 ( -0.252 -0.146 0.000) 0.291 15.682 ( -1.874 -1.082 0.000) 2.164 15.980 ( -1.024 -0.591 0.000) 1.183 17.086 ( -15.547 -8.976 0.000) 17.953 19.273 ( -5.664 -3.270 0.000) 6.541 24.080 ( 1.576 0.910 0.000) 1.819 24.415 ( -2.086 -1.204 0.000) 2.408 ======================= Grid point 9 (10/160) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.792 ( 7.321 4.227 0.000) 8.454 6.292 ( 6.104 3.524 0.000) 7.048 6.454 ( 3.036 1.753 0.000) 3.506 6.746 ( -0.523 -0.302 0.000) 0.604 7.382 ( -5.232 -3.021 0.000) 6.041 7.834 ( 2.444 1.411 0.000) 2.823 8.433 ( -3.300 -1.905 0.000) 3.810 9.086 ( -1.590 -0.918 0.000) 1.836 9.479 ( 1.271 0.734 0.000) 1.468 10.282 ( 13.588 7.845 0.000) 15.690 11.016 ( 0.470 0.271 0.000) 0.543 11.198 ( 5.559 3.210 0.000) 6.419 11.406 ( -11.679 -6.743 0.000) 13.486 11.872 ( 9.619 5.554 0.000) 11.107 12.517 ( 5.246 3.029 0.000) 6.058 12.641 ( -0.796 -0.459 0.000) 0.919 13.080 ( 4.670 2.696 0.000) 5.392 14.811 ( -0.211 -0.122 0.000) 0.244 15.652 ( -0.685 -0.395 0.000) 0.791 15.962 ( -0.436 -0.252 0.000) 0.503 16.823 ( -6.579 -3.798 0.000) 7.596 19.180 ( -2.298 -1.327 0.000) 2.654 24.106 ( 0.634 0.366 0.000) 0.732 24.381 ( -0.818 -0.472 0.000) 0.944 ======================= Grid point 20 (11/160) ======================= q-point: ( 0.05 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 20.283 35.132 0.000) 40.567 1.564 ( 23.542 40.776 0.000) 47.084 2.763 ( 39.631 68.642 0.000) 79.261 4.244 ( 8.005 13.865 0.000) 16.010 4.779 ( 20.853 36.119 0.000) 41.707 5.970 ( 5.295 9.171 0.000) 10.590 6.099 ( 7.983 13.826 0.000) 15.965 7.896 ( 0.098 0.170 0.000) 0.196 8.168 ( -0.327 -0.566 0.000) 0.654 8.392 ( 3.651 6.324 0.000) 7.302 8.902 ( 11.620 20.126 0.000) 23.239 9.631 ( -0.964 -1.670 0.000) 1.928 10.592 ( 1.603 2.776 0.000) 3.205 10.610 ( 1.865 3.230 0.000) 3.730 12.059 ( 0.251 0.434 0.000) 0.501 13.965 ( -23.180 -40.148 0.000) 46.359 14.554 ( 0.611 1.059 0.000) 1.223 15.536 ( -6.192 -10.724 0.000) 12.383 15.822 ( 0.533 0.923 0.000) 1.066 15.865 ( 1.420 2.460 0.000) 2.841 16.892 ( 17.056 29.541 0.000) 34.111 20.477 ( -4.142 -7.174 0.000) 8.283 23.832 ( 0.385 0.666 0.000) 0.769 24.794 ( -0.880 -1.523 0.000) 1.759 ======================= Grid point 21 (12/160) ======================= q-point: ( 0.11 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 26.305 30.299 0.000) 40.124 2.384 ( 27.523 37.568 0.000) 46.571 4.101 ( 45.563 43.819 0.000) 63.214 4.594 ( 12.245 35.424 0.000) 37.480 5.666 ( 41.874 33.027 0.000) 53.331 6.196 ( 8.731 12.382 0.000) 15.150 6.404 ( 11.865 12.029 0.000) 16.896 7.914 ( 1.751 1.096 0.000) 2.065 8.181 ( 1.552 1.072 0.000) 1.886 8.547 ( 5.104 9.563 0.000) 10.839 9.363 ( 19.556 19.311 0.000) 27.484 9.593 ( -1.887 -1.163 0.000) 2.217 10.659 ( 1.759 5.034 0.000) 5.332 10.701 ( 5.090 3.854 0.000) 6.384 12.039 ( -5.336 0.916 0.000) 5.414 13.168 ( -23.884 -36.669 0.000) 43.762 14.580 ( 0.921 1.224 0.000) 1.532 15.265 ( -11.557 -13.540 0.000) 17.802 15.843 ( 0.594 1.306 0.000) 1.434 15.924 ( 2.176 2.667 0.000) 3.442 17.436 ( 16.251 22.105 0.000) 27.435 20.297 ( -7.100 -9.841 0.000) 12.135 23.850 ( 0.858 0.955 0.000) 1.284 24.756 ( -1.659 -1.922 0.000) 2.539 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.16 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 28.012 26.772 0.000) 38.748 3.207 ( 27.830 35.005 0.000) 44.720 4.774 ( 12.559 21.832 0.000) 25.186 5.694 ( 49.978 52.996 0.000) 72.844 6.493 ( 10.522 14.527 0.000) 17.937 6.686 ( 9.257 7.420 0.000) 11.864 6.766 ( 50.772 29.910 0.000) 58.927 7.992 ( 5.590 2.243 0.000) 6.023 8.239 ( 3.332 2.569 0.000) 4.207 8.739 ( 5.153 11.544 0.000) 12.641 9.548 ( -2.756 0.046 0.000) 2.756 9.909 ( 24.472 14.689 0.000) 28.542 10.751 ( 2.128 7.579 0.000) 7.873 10.864 ( 8.283 6.841 0.000) 10.742 11.768 ( -26.844 -6.875 0.000) 27.710 12.605 ( -3.018 -25.150 0.000) 25.331 14.591 ( -2.175 -0.180 0.000) 2.183 14.906 ( -12.801 -14.330 0.000) 19.215 15.863 ( 0.086 1.280 0.000) 1.282 15.982 ( 1.322 3.011 0.000) 3.289 17.841 ( 9.665 14.996 0.000) 17.841 20.057 ( -8.176 -12.176 0.000) 14.666 23.880 ( 1.370 1.242 0.000) 1.849 24.702 ( -2.272 -2.213 0.000) 3.172 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.21 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 27.550 23.548 0.000) 36.243 3.997 ( 26.827 32.104 0.000) 41.837 5.195 ( 10.952 24.850 0.000) 27.156 6.803 ( 7.844 8.874 0.000) 11.844 6.861 ( 6.301 9.788 0.000) 11.641 7.029 ( 50.484 43.742 0.000) 66.798 7.918 ( 52.907 24.975 0.000) 58.506 8.100 ( 3.396 0.242 0.000) 3.405 8.379 ( 9.992 5.954 0.000) 11.632 8.937 ( 4.894 11.467 0.000) 12.467 9.505 ( -3.468 2.551 0.000) 4.305 10.426 ( 23.933 3.897 0.000) 24.248 10.901 ( 4.588 14.013 0.000) 14.745 11.117 ( -33.140 -13.197 0.000) 35.671 11.119 ( 11.520 11.209 0.000) 16.073 12.489 ( 6.981 -13.332 0.000) 15.049 14.326 ( -20.096 -12.941 0.000) 23.902 14.737 ( 1.575 -3.197 0.000) 3.564 15.865 ( -1.349 1.341 0.000) 1.902 16.024 ( 0.102 2.881 0.000) 2.883 18.033 ( -0.388 7.406 0.000) 7.416 19.803 ( -6.658 -13.414 0.000) 14.975 23.920 ( 1.804 1.446 0.000) 2.311 24.638 ( -2.667 -2.380 0.000) 3.574 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.26 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 25.712 20.316 0.000) 32.770 4.728 ( 24.686 28.400 0.000) 37.629 5.622 ( 10.128 25.713 0.000) 27.635 6.863 ( -0.658 0.837 0.000) 1.065 7.167 ( 9.884 15.825 0.000) 18.658 8.081 ( -3.840 -2.659 0.000) 4.671 8.182 ( 39.279 32.313 0.000) 50.862 8.689 ( 17.461 8.230 0.000) 19.303 8.946 ( 41.665 8.181 0.000) 42.461 9.124 ( 4.684 10.340 0.000) 11.352 9.544 ( 4.894 15.850 0.000) 16.588 10.520 ( -22.550 -7.014 0.000) 23.615 10.729 ( 13.343 -4.664 0.000) 14.134 11.216 ( 13.120 17.078 0.000) 21.536 11.464 ( 14.117 14.464 0.000) 20.211 12.513 ( 8.494 -9.495 0.000) 12.740 13.808 ( -23.799 -14.867 0.000) 28.061 14.758 ( 2.817 -1.982 0.000) 3.444 15.843 ( -3.035 1.692 0.000) 3.475 16.041 ( -1.085 2.335 0.000) 2.574 17.967 ( -11.107 -0.471 0.000) 11.117 19.585 ( -3.702 -13.224 0.000) 13.732 23.967 ( 2.046 1.506 0.000) 2.540 24.568 ( -2.807 -2.413 0.000) 3.702 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.32 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.799 ( 22.953 17.047 0.000) 28.591 5.371 ( 21.198 23.426 0.000) 31.593 6.022 ( 7.613 24.861 0.000) 26.000 6.840 ( -2.390 0.626 0.000) 2.470 7.469 ( 7.969 14.710 0.000) 16.730 7.933 ( -8.918 -4.856 0.000) 10.154 8.803 ( 4.785 10.884 0.000) 11.890 9.103 ( 21.208 9.162 0.000) 23.103 9.243 ( 4.952 -3.531 0.000) 6.081 9.292 ( 3.801 9.282 0.000) 10.030 10.191 ( 28.054 26.438 0.000) 38.548 10.399 ( 16.363 8.147 0.000) 18.279 10.851 ( 7.472 -4.582 0.000) 8.765 11.588 ( 12.530 11.656 0.000) 17.113 11.850 ( 14.452 13.621 0.000) 19.860 12.590 ( 10.300 -6.799 0.000) 12.341 13.266 ( -23.369 -13.112 0.000) 26.796 14.781 ( 2.388 -2.631 0.000) 3.553 15.800 ( -4.230 2.393 0.000) 4.860 16.034 ( -1.974 1.718 0.000) 2.618 17.678 ( -17.844 -6.598 0.000) 19.025 19.412 ( -2.157 -12.683 0.000) 12.865 24.016 ( 2.045 1.417 0.000) 2.488 24.498 ( -2.662 -2.305 0.000) 3.521 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.37 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.306 ( 19.093 13.536 0.000) 23.405 5.884 ( 16.030 16.777 0.000) 23.204 6.348 ( 3.172 22.775 0.000) 22.994 6.804 ( -2.625 0.981 0.000) 2.802 7.704 ( -10.495 -4.770 0.000) 11.528 7.713 ( 3.880 11.891 0.000) 12.508 8.740 ( -11.621 2.272 0.000) 11.841 9.227 ( -4.543 1.433 0.000) 4.764 9.425 ( 2.139 7.954 0.000) 8.236 9.575 ( 23.138 9.602 0.000) 25.051 10.722 ( 19.954 13.572 0.000) 24.132 10.902 ( 4.721 -6.354 0.000) 7.916 11.096 ( 33.813 15.239 0.000) 37.088 11.801 ( 0.377 5.994 0.000) 6.006 12.193 ( 12.233 9.832 0.000) 15.694 12.737 ( 13.108 -3.575 0.000) 13.587 12.820 ( -15.137 -7.672 0.000) 16.970 14.787 ( 1.801 -3.301 0.000) 3.760 15.753 ( -4.566 3.460 0.000) 5.729 16.012 ( -2.305 1.369 0.000) 2.681 17.282 ( -18.523 -9.201 0.000) 20.682 19.260 ( -1.533 -12.115 0.000) 12.212 24.062 ( 1.773 1.195 0.000) 2.139 24.435 ( -2.173 -2.027 0.000) 2.971 ======================= Grid point 27 (18/160) ======================= q-point: ( 0.42 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.687 ( 12.278 8.728 0.000) 15.064 6.222 ( 8.799 8.737 0.000) 12.400 6.561 ( -2.841 19.946 0.000) 20.147 6.775 ( -2.109 1.324 0.000) 2.491 7.472 ( -9.324 -4.076 0.000) 10.176 7.871 ( 0.377 10.569 0.000) 10.576 8.585 ( -10.745 6.915 0.000) 12.778 9.159 ( -5.409 3.274 0.000) 6.323 9.511 ( -0.506 6.870 0.000) 6.889 10.053 ( 22.090 8.027 0.000) 23.503 10.871 ( 2.284 -13.374 0.000) 13.568 11.086 ( 11.670 4.449 0.000) 12.489 11.673 ( 20.619 6.499 0.000) 21.619 11.705 ( -15.231 6.289 0.000) 16.478 12.442 ( 8.140 5.536 0.000) 9.844 12.642 ( -2.197 -2.477 0.000) 3.311 12.936 ( 12.340 -2.482 0.000) 12.587 14.781 ( 1.605 -3.539 0.000) 3.886 15.718 ( -4.164 4.815 0.000) 6.366 15.988 ( -1.943 1.430 0.000) 2.413 16.927 ( -12.304 -7.327 0.000) 14.321 19.136 ( 0.561 -10.641 0.000) 10.656 24.097 ( 1.105 0.792 0.000) 1.360 24.389 ( -1.192 -1.493 0.000) 1.910 ======================= Grid point 28 (19/160) ======================= q-point: ( 0.47 0.05 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.844 ( -0.569 0.985 0.000) 1.138 6.340 ( -0.762 1.320 0.000) 1.524 6.635 ( -9.529 16.505 0.000) 19.059 6.762 ( -1.025 1.775 0.000) 2.050 7.363 ( -0.740 1.282 0.000) 1.480 7.926 ( -4.518 7.826 0.000) 9.037 8.527 ( -6.568 11.376 0.000) 13.136 9.127 ( -2.929 5.073 0.000) 5.857 9.540 ( -3.158 5.470 0.000) 6.317 10.351 ( 0.831 -1.439 0.000) 1.661 10.766 ( 10.036 -17.383 0.000) 20.072 11.203 ( 1.547 -2.680 0.000) 3.094 11.580 ( -9.527 16.501 0.000) 19.054 11.883 ( 2.549 -4.415 0.000) 5.098 12.556 ( -0.637 1.103 0.000) 1.274 12.609 ( 1.559 -2.699 0.000) 3.117 13.040 ( 3.893 -6.744 0.000) 7.787 14.777 ( 1.940 -3.361 0.000) 3.881 15.707 ( -3.379 5.853 0.000) 6.759 15.978 ( -1.069 1.851 0.000) 2.137 16.778 ( 0.416 -0.721 0.000) 0.832 19.087 ( 4.698 -8.138 0.000) 9.397 24.111 ( -0.069 0.120 0.000) 0.139 24.371 ( 0.359 -0.622 0.000) 0.719 ======================= Grid point 41 (20/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 19.470 33.723 0.000) 38.939 3.156 ( 23.385 40.504 0.000) 46.770 4.772 ( 16.490 28.562 0.000) 32.980 5.578 ( 34.401 59.584 0.000) 68.802 6.421 ( 25.647 44.422 0.000) 51.294 6.486 ( 9.732 16.856 0.000) 19.464 6.633 ( 6.286 10.887 0.000) 12.571 7.952 ( 1.831 3.171 0.000) 3.661 8.222 ( 1.837 3.182 0.000) 3.675 8.764 ( 6.941 12.023 0.000) 13.883 9.574 ( -0.427 -0.740 0.000) 0.854 9.761 ( 11.990 20.767 0.000) 23.979 10.788 ( 3.625 6.278 0.000) 7.249 10.813 ( 5.734 9.931 0.000) 11.467 12.057 ( -0.511 -0.885 0.000) 1.022 12.409 ( -22.070 -38.226 0.000) 44.139 14.606 ( 0.758 1.313 0.000) 1.516 14.947 ( -10.895 -18.871 0.000) 21.791 15.869 ( 0.797 1.380 0.000) 1.594 15.987 ( 2.007 3.477 0.000) 4.015 17.840 ( 10.528 18.235 0.000) 21.056 20.061 ( -8.135 -14.090 0.000) 16.270 23.874 ( 0.869 1.505 0.000) 1.738 24.710 ( -1.554 -2.692 0.000) 3.109 ======================= Grid point 42 (21/160) ======================= q-point: ( 0.16 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( 22.017 29.421 0.000) 36.747 3.934 ( 22.856 38.359 0.000) 44.652 5.296 ( 12.253 30.373 0.000) 32.752 6.768 ( 37.789 56.384 0.000) 67.876 6.794 ( 4.299 8.878 0.000) 9.864 6.845 ( 10.218 15.769 0.000) 18.790 7.363 ( 40.700 31.690 0.000) 51.582 8.039 ( 4.288 2.774 0.000) 5.107 8.310 ( 4.571 4.712 0.000) 6.565 8.990 ( 4.785 13.358 0.000) 14.189 9.566 ( -0.937 1.758 0.000) 1.992 10.147 ( 15.391 9.987 0.000) 18.347 10.935 ( 5.162 10.071 0.000) 11.317 11.071 ( 9.775 15.232 0.000) 18.099 11.570 ( -34.643 -15.751 0.000) 38.056 12.154 ( 12.118 -17.351 0.000) 21.164 14.508 ( -16.489 -13.747 0.000) 21.468 14.659 ( 2.342 -5.402 0.000) 5.888 15.893 ( 0.077 1.704 0.000) 1.705 16.049 ( 1.071 3.539 0.000) 3.698 18.112 ( 3.466 11.873 0.000) 12.368 19.765 ( -8.072 -17.561 0.000) 19.327 23.909 ( 1.337 1.709 0.000) 2.170 24.652 ( -2.095 -2.872 0.000) 3.554 ======================= Grid point 43 (22/160) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 22.249 25.147 0.000) 33.577 4.662 ( 20.833 34.884 0.000) 40.631 5.784 ( 8.102 34.605 0.000) 35.541 6.879 ( 0.767 2.598 0.000) 2.709 7.195 ( 8.766 20.220 0.000) 22.039 7.900 ( 36.436 44.732 0.000) 57.693 8.100 ( -0.056 0.016 0.000) 0.058 8.345 ( 43.106 19.452 0.000) 47.292 8.502 ( 12.346 6.535 0.000) 13.969 9.183 ( 2.957 13.241 0.000) 13.567 9.596 ( 1.629 6.017 0.000) 6.233 10.453 ( 14.476 0.494 0.000) 14.484 10.901 ( -28.855 -8.140 0.000) 29.981 11.171 ( 9.699 12.609 0.000) 15.908 11.419 ( 11.180 18.648 0.000) 21.743 12.205 ( 12.118 -14.690 0.000) 19.043 14.033 ( -20.337 -16.578 0.000) 26.238 14.678 ( 3.155 -3.161 0.000) 4.466 15.902 ( -1.308 2.240 0.000) 2.594 16.087 ( -0.573 3.389 0.000) 3.437 18.162 ( -8.045 5.285 0.000) 9.625 19.474 ( -3.845 -20.135 0.000) 20.499 23.951 ( 1.687 1.769 0.000) 2.444 24.586 ( -2.406 -2.933 0.000) 3.793 ======================= Grid point 44 (23/160) ======================= q-point: ( 0.26 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.611 ( 21.031 20.966 0.000) 29.697 5.304 ( 17.833 29.390 0.000) 34.377 6.237 ( 4.179 36.495 0.000) 36.733 6.889 ( -1.695 1.806 0.000) 2.477 7.522 ( 6.633 19.914 0.000) 20.990 8.028 ( -6.610 -2.633 0.000) 7.115 8.786 ( 21.549 29.001 0.000) 36.131 8.840 ( 18.915 7.443 0.000) 20.326 9.002 ( 18.117 1.565 0.000) 18.185 9.355 ( 2.263 13.086 0.000) 13.280 9.898 ( 26.466 15.940 0.000) 30.896 10.514 ( -14.228 7.797 0.000) 16.224 10.646 ( 10.603 -3.916 0.000) 11.303 11.485 ( 12.575 11.449 0.000) 17.006 11.787 ( 11.205 17.068 0.000) 20.417 12.281 ( 13.505 -13.544 0.000) 19.126 13.523 ( -21.962 -13.977 0.000) 26.033 14.695 ( 3.227 -4.533 0.000) 5.564 15.893 ( -2.851 3.220 0.000) 4.301 16.096 ( -2.111 3.076 0.000) 3.731 17.946 ( -18.602 -1.953 0.000) 18.704 19.255 ( 1.022 -20.496 0.000) 20.521 23.998 ( 1.844 1.677 0.000) 2.493 24.516 ( -2.450 -2.875 0.000) 3.777 ======================= Grid point 45 (24/160) ======================= q-point: ( 0.32 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.132 ( 18.725 16.906 0.000) 25.227 5.823 ( 13.729 21.663 0.000) 25.647 6.625 ( -0.517 36.260 0.000) 36.263 6.867 ( -2.835 1.920 0.000) 3.424 7.799 ( 3.768 17.952 0.000) 18.343 7.844 ( -10.587 -3.432 0.000) 11.129 8.980 ( -9.697 8.978 0.000) 13.215 9.262 ( 21.859 7.374 0.000) 23.069 9.264 ( 6.186 5.733 0.000) 8.434 9.512 ( 1.264 13.132 0.000) 13.192 10.589 ( 17.943 11.256 0.000) 21.181 10.660 ( 27.279 20.110 0.000) 33.891 10.739 ( 6.534 -6.808 0.000) 9.436 11.775 ( 9.467 7.565 0.000) 12.118 12.113 ( 10.173 12.267 0.000) 15.936 12.412 ( 16.502 -10.709 0.000) 19.673 13.049 ( -20.148 -8.374 0.000) 21.819 14.698 ( 3.168 -5.843 0.000) 6.647 15.873 ( -3.984 4.828 0.000) 6.260 16.080 ( -3.044 2.813 0.000) 4.145 17.543 ( -22.237 -7.298 0.000) 23.404 19.092 ( 2.666 -19.950 0.000) 20.127 24.045 ( 1.775 1.477 0.000) 2.309 24.449 ( -2.182 -2.691 0.000) 3.464 ======================= Grid point 46 (25/160) ======================= q-point: ( 0.37 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.561 ( 14.561 12.538 0.000) 19.215 6.179 ( 8.496 12.720 0.000) 15.297 6.835 ( -2.979 1.677 0.000) 3.419 6.913 ( -6.404 34.418 0.000) 35.008 7.613 ( -11.419 -3.071 0.000) 11.825 8.008 ( 0.035 16.813 0.000) 16.813 8.890 ( -12.322 13.766 0.000) 18.475 9.310 ( -5.363 7.018 0.000) 8.833 9.606 ( 2.204 9.951 0.000) 10.192 9.745 ( 19.847 8.624 0.000) 21.639 10.721 ( 1.415 -11.682 0.000) 11.767 10.925 ( 12.489 6.763 0.000) 14.203 11.321 ( 28.344 7.510 0.000) 29.322 11.908 ( -1.267 4.549 0.000) 4.722 12.361 ( 8.371 6.189 0.000) 10.410 12.626 ( 18.276 -7.420 0.000) 19.725 12.729 ( -11.413 -0.654 0.000) 11.432 14.690 ( 3.185 -6.561 0.000) 7.293 15.859 ( -4.479 7.223 0.000) 8.498 16.053 ( -3.177 2.769 0.000) 4.214 17.106 ( -18.656 -8.784 0.000) 20.620 18.955 ( 3.795 -18.864 0.000) 19.241 24.085 ( 1.393 1.180 0.000) 1.826 24.393 ( -1.494 -2.332 0.000) 2.769 ======================= Grid point 47 (26/160) ======================= q-point: ( 0.42 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.835 ( 5.580 6.350 0.000) 8.453 6.356 ( 2.227 5.096 0.000) 5.561 6.804 ( -1.923 1.095 0.000) 2.213 7.069 ( -13.295 31.226 0.000) 33.939 7.439 ( -6.851 1.417 0.000) 6.996 8.121 ( -4.882 14.414 0.000) 15.218 8.848 ( -12.245 19.565 0.000) 23.081 9.278 ( -6.570 8.748 0.000) 10.940 9.681 ( -3.856 10.219 0.000) 10.922 10.171 ( 20.639 4.376 0.000) 21.098 10.545 ( -4.628 -18.175 0.000) 18.755 11.106 ( 6.447 -2.233 0.000) 6.823 11.705 ( 13.791 -3.237 0.000) 14.166 11.871 ( -7.716 8.435 0.000) 11.431 12.508 ( 5.854 -1.152 0.000) 5.966 12.627 ( -4.626 4.013 0.000) 6.124 12.822 ( 12.454 -9.137 0.000) 15.447 14.682 ( 3.503 -6.621 0.000) 7.490 15.862 ( -5.151 9.713 0.000) 10.994 16.032 ( -2.467 2.908 0.000) 3.813 16.804 ( -7.268 -5.129 0.000) 8.896 18.867 ( 6.803 -16.745 0.000) 18.074 24.111 ( 0.479 0.666 0.000) 0.821 24.358 ( -0.185 -1.654 0.000) 1.664 ======================= Grid point 61 (27/160) ======================= q-point: ( 0.16 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 16.900 29.271 0.000) 33.800 4.664 ( 20.701 35.856 0.000) 41.402 5.909 ( 18.242 31.596 0.000) 36.484 6.885 ( 1.756 3.041 0.000) 3.511 7.226 ( 11.618 20.124 0.000) 23.237 7.854 ( 31.016 53.721 0.000) 62.032 8.001 ( 19.545 33.853 0.000) 39.090 8.097 ( 1.488 2.578 0.000) 2.977 8.426 ( 4.465 7.734 0.000) 8.931 9.234 ( 6.598 11.428 0.000) 13.196 9.611 ( 1.560 2.702 0.000) 3.120 10.321 ( 4.771 8.263 0.000) 9.541 11.147 ( 7.039 12.191 0.000) 14.077 11.171 ( -12.516 -21.678 0.000) 25.032 11.420 ( 11.063 19.162 0.000) 22.127 11.967 ( -2.286 -3.959 0.000) 4.572 14.134 ( -12.496 -21.644 0.000) 24.993 14.626 ( -0.423 -0.733 0.000) 0.846 15.924 ( 0.842 1.459 0.000) 1.685 16.111 ( 1.505 2.607 0.000) 3.010 18.272 ( 2.204 3.817 0.000) 4.408 19.392 ( -11.542 -19.991 0.000) 23.084 23.946 ( 1.195 2.070 0.000) 2.390 24.592 ( -1.915 -3.317 0.000) 3.830 ======================= Grid point 62 (28/160) ======================= q-point: ( 0.21 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( 17.385 24.606 0.000) 30.128 5.311 ( 17.079 30.862 0.000) 35.273 6.498 ( 11.150 37.592 0.000) 39.211 6.924 ( -0.021 1.974 0.000) 1.974 7.596 ( 8.667 19.999 0.000) 21.796 8.101 ( -3.154 -0.220 0.000) 3.162 8.606 ( 22.128 19.986 0.000) 29.817 8.643 ( 12.311 8.736 0.000) 15.096 8.841 ( 25.798 39.485 0.000) 47.166 9.440 ( 4.001 12.984 0.000) 13.587 9.694 ( 7.976 3.071 0.000) 8.547 10.469 ( 7.085 1.165 0.000) 7.180 10.845 ( -13.360 3.296 0.000) 13.760 11.409 ( 9.514 12.067 0.000) 15.366 11.781 ( 9.948 17.343 0.000) 19.994 11.941 ( 7.980 -12.190 0.000) 14.569 13.701 ( -15.944 -16.958 0.000) 23.277 14.609 ( 1.047 -3.952 0.000) 4.088 15.948 ( -0.304 2.385 0.000) 2.404 16.146 ( -0.251 2.478 0.000) 2.491 18.222 ( -11.881 0.600 0.000) 11.897 19.030 ( -3.777 -24.946 0.000) 25.230 23.988 ( 1.460 1.973 0.000) 2.454 24.525 ( -2.155 -3.282 0.000) 3.926 ======================= Grid point 63 (29/160) ======================= q-point: ( 0.26 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.013 ( 16.581 20.093 0.000) 26.051 5.827 ( 12.428 23.364 0.000) 26.463 6.926 ( -1.752 1.673 0.000) 2.422 7.005 ( 3.040 41.303 0.000) 41.414 7.901 ( 4.960 16.685 0.000) 17.407 7.991 ( -7.953 0.139 0.000) 7.954 8.998 ( 18.207 9.613 0.000) 20.588 9.057 ( 14.444 5.921 0.000) 15.611 9.315 ( -3.275 23.988 0.000) 24.211 9.626 ( 2.170 14.589 0.000) 14.749 10.134 ( 34.416 10.262 0.000) 35.913 10.570 ( 6.224 -4.151 0.000) 7.481 10.804 ( -5.684 19.425 0.000) 20.239 11.680 ( 9.908 8.629 0.000) 13.138 12.005 ( 15.562 -14.548 0.000) 21.303 12.077 ( 8.120 11.786 0.000) 14.313 13.289 ( -17.030 -9.171 0.000) 19.342 14.584 ( 2.243 -6.710 0.000) 7.075 15.963 ( -1.422 3.933 0.000) 4.182 16.152 ( -1.872 2.479 0.000) 3.107 17.885 ( -24.204 -4.211 0.000) 24.568 18.797 ( 4.729 -26.108 0.000) 26.533 24.032 ( 1.562 1.775 0.000) 2.364 24.457 ( -2.117 -3.152 0.000) 3.797 ======================= Grid point 64 (30/160) ======================= q-point: ( 0.32 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.452 ( 14.471 15.798 0.000) 21.424 6.180 ( 7.526 14.634 0.000) 16.456 6.898 ( -2.902 0.563 0.000) 2.956 7.397 ( -4.870 42.046 0.000) 42.327 7.792 ( -11.517 -0.450 0.000) 11.526 8.158 ( 2.996 16.907 0.000) 17.170 9.210 ( -4.813 14.928 0.000) 15.684 9.413 ( 19.411 8.885 0.000) 21.348 9.447 ( -1.574 12.997 0.000) 13.092 9.792 ( 0.147 15.127 0.000) 15.127 10.585 ( 2.712 -9.008 0.000) 9.408 10.769 ( 23.078 6.643 0.000) 24.015 10.989 ( 10.681 13.100 0.000) 16.903 11.883 ( 6.444 3.493 0.000) 7.330 12.194 ( 21.394 -11.288 0.000) 24.190 12.278 ( 6.757 3.631 0.000) 7.671 12.979 ( -14.830 2.099 0.000) 14.978 14.557 ( 3.384 -8.562 0.000) 9.206 15.983 ( -1.967 6.464 0.000) 6.757 16.136 ( -2.843 2.824 0.000) 4.008 17.395 ( -25.162 -7.708 0.000) 26.316 18.648 ( 6.799 -25.231 0.000) 26.131 24.074 ( 1.445 1.540 0.000) 2.112 24.394 ( -1.724 -2.915 0.000) 3.386 ======================= Grid point 65 (31/160) ======================= q-point: ( 0.37 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.791 ( 9.315 11.033 0.000) 14.439 6.372 ( 2.933 7.360 0.000) 7.922 6.841 ( -2.764 -1.697 0.000) 3.243 7.615 ( -10.450 3.950 0.000) 11.171 7.650 ( -12.912 40.222 0.000) 42.244 8.332 ( -1.423 15.203 0.000) 15.269 9.269 ( -10.416 24.121 0.000) 26.274 9.498 ( -6.654 12.168 0.000) 13.869 9.779 ( 11.172 7.800 0.000) 13.626 9.944 ( 4.994 11.763 0.000) 12.779 10.475 ( -3.355 -12.615 0.000) 13.053 10.978 ( 5.504 -1.228 0.000) 5.639 11.378 ( 20.704 -1.750 0.000) 20.778 11.961 ( 1.144 0.542 0.000) 1.265 12.382 ( 5.862 -3.604 0.000) 6.881 12.454 ( 19.524 -10.313 0.000) 22.080 12.838 ( -10.284 11.191 0.000) 15.199 14.535 ( 4.426 -9.312 0.000) 10.310 16.029 ( -2.105 10.013 0.000) 10.232 16.115 ( -3.339 3.732 0.000) 5.008 16.945 ( -17.484 -7.523 0.000) 19.034 18.538 ( 8.689 -23.559 0.000) 25.110 24.108 ( 0.902 1.217 0.000) 1.515 24.346 ( -0.777 -2.473 0.000) 2.592 ======================= Grid point 66 (32/160) ======================= q-point: ( 0.42 0.16 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.934 ( -2.282 3.952 0.000) 4.563 6.431 ( -1.733 3.002 0.000) 3.466 6.801 ( 0.825 -1.428 0.000) 1.649 7.542 ( -5.222 9.044 0.000) 10.443 7.738 ( -21.031 36.426 0.000) 42.061 8.395 ( -7.194 12.460 0.000) 14.388 9.307 ( -15.123 26.193 0.000) 30.246 9.491 ( -7.414 12.842 0.000) 14.828 9.886 ( -5.597 9.695 0.000) 11.194 10.190 ( 5.406 -9.363 0.000) 10.812 10.266 ( 0.911 -1.577 0.000) 1.821 11.014 ( 3.773 -6.536 0.000) 7.547 11.551 ( 7.128 -12.346 0.000) 14.255 11.967 ( -0.491 0.851 0.000) 0.983 12.413 ( 3.982 -6.897 0.000) 7.964 12.579 ( 9.111 -15.780 0.000) 18.222 12.812 ( -7.814 13.534 0.000) 15.628 14.526 ( 5.306 -9.191 0.000) 10.612 16.082 ( -6.957 12.050 0.000) 13.915 16.095 ( -2.046 3.544 0.000) 4.092 16.741 ( 0.409 -0.709 0.000) 0.819 18.495 ( 12.249 -21.215 0.000) 24.497 24.123 ( -0.328 0.568 0.000) 0.655 24.326 ( 0.921 -1.594 0.000) 1.841 ======================= Grid point 82 (33/160) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( 13.134 22.750 0.000) 26.269 5.839 ( 13.218 22.894 0.000) 26.436 6.950 ( 0.314 0.544 0.000) 0.629 7.207 ( 19.792 34.281 0.000) 39.584 7.942 ( 8.770 15.189 0.000) 17.539 8.070 ( -1.965 -3.403 0.000) 3.930 8.880 ( 9.296 16.102 0.000) 18.592 8.924 ( 8.888 15.395 0.000) 17.777 9.633 ( 20.885 36.174 0.000) 41.770 9.687 ( 7.111 12.316 0.000) 14.222 9.725 ( 2.175 3.767 0.000) 4.349 10.489 ( 0.262 0.454 0.000) 0.524 11.015 ( 7.054 12.218 0.000) 14.108 11.635 ( 6.277 10.873 0.000) 12.555 11.741 ( -4.409 -7.636 0.000) 8.817 12.066 ( 6.650 11.517 0.000) 13.299 13.397 ( -7.864 -13.621 0.000) 15.728 14.526 ( -2.602 -4.506 0.000) 5.203 15.994 ( 1.424 2.466 0.000) 2.847 16.180 ( 0.583 1.009 0.000) 1.165 18.159 ( -5.133 -8.890 0.000) 10.266 18.541 ( -13.259 -22.965 0.000) 26.518 24.027 ( 1.185 2.052 0.000) 2.370 24.459 ( -1.957 -3.389 0.000) 3.913 ======================= Grid point 83 (34/160) ======================= q-point: ( 0.26 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.389 ( 12.599 18.435 0.000) 22.329 6.197 ( 7.717 14.606 0.000) 16.519 6.936 ( -1.846 -1.085 0.000) 2.141 7.804 ( 7.599 39.821 0.000) 40.539 7.967 ( -7.625 0.459 0.000) 7.639 8.205 ( 7.366 11.258 0.000) 13.454 9.228 ( 11.490 11.595 0.000) 16.324 9.248 ( 14.200 16.327 0.000) 21.638 9.735 ( -8.741 19.320 0.000) 21.206 9.912 ( 3.824 14.354 0.000) 14.855 10.344 ( 29.985 11.289 0.000) 32.040 10.473 ( 0.817 -5.947 0.000) 6.002 11.191 ( -8.364 19.050 0.000) 20.805 11.721 ( 17.546 -14.378 0.000) 22.685 11.816 ( 5.451 5.174 0.000) 7.516 12.219 ( 3.467 2.654 0.000) 4.366 13.194 ( -7.777 -0.321 0.000) 7.784 14.439 ( -0.217 -7.990 0.000) 7.993 16.048 ( 0.870 4.999 0.000) 5.074 16.188 ( -0.804 1.242 0.000) 1.480 17.787 ( -27.623 -5.731 0.000) 28.211 18.253 ( 7.369 -29.305 0.000) 30.218 24.067 ( 1.274 1.842 0.000) 2.239 24.395 ( -1.856 -3.208 0.000) 3.706 ======================= Grid point 84 (35/160) ======================= q-point: ( 0.32 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.746 ( 10.403 14.496 0.000) 17.843 6.396 ( 3.352 7.945 0.000) 8.623 6.864 ( -3.412 -4.388 0.000) 5.558 7.845 ( -9.903 6.072 0.000) 11.617 8.226 ( -5.239 42.165 0.000) 42.489 8.416 ( 5.771 8.770 0.000) 10.499 9.521 ( 6.664 15.654 0.000) 17.013 9.634 ( 13.085 13.866 0.000) 19.066 9.788 ( -9.393 21.996 0.000) 23.918 10.082 ( -0.546 13.908 0.000) 13.918 10.399 ( -0.512 -9.305 0.000) 9.319 10.824 ( 18.068 -1.409 0.000) 18.123 11.157 ( -3.008 3.926 0.000) 4.945 11.910 ( 3.142 -0.704 0.000) 3.220 11.985 ( 23.388 -9.916 0.000) 25.403 12.261 ( 3.345 -4.189 0.000) 5.360 13.119 ( -8.092 10.949 0.000) 13.615 14.369 ( 2.785 -10.548 0.000) 10.909 16.126 ( 0.477 7.979 0.000) 7.994 16.188 ( -0.707 2.952 0.000) 3.035 17.251 ( -26.504 -6.856 0.000) 27.376 18.127 ( 10.031 -27.849 0.000) 29.600 24.105 ( 1.112 1.665 0.000) 2.003 24.337 ( -1.329 -2.948 0.000) 3.233 ======================= Grid point 85 (36/160) ======================= q-point: ( 0.37 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.992 ( 3.212 9.701 0.000) 10.219 6.479 ( 0.022 3.968 0.000) 3.968 6.762 ( -1.059 -6.104 0.000) 6.195 7.769 ( -8.884 11.271 0.000) 14.351 8.443 ( -16.726 40.267 0.000) 43.603 8.550 ( 0.895 6.071 0.000) 6.136 9.726 ( -2.852 17.881 0.000) 18.107 9.826 ( -13.273 24.272 0.000) 27.665 9.934 ( 9.051 7.780 0.000) 11.936 10.132 ( -4.612 3.429 0.000) 5.747 10.308 ( -3.249 0.220 0.000) 3.257 10.893 ( 1.725 -6.486 0.000) 6.711 11.254 ( 12.505 -10.719 0.000) 16.471 11.927 ( 2.221 -3.779 0.000) 4.383 12.216 ( 16.060 -14.328 0.000) 21.523 12.270 ( 4.305 -6.936 0.000) 8.163 13.108 ( -9.019 15.495 0.000) 17.929 14.331 ( 5.480 -11.471 0.000) 12.713 16.159 ( -1.676 2.968 0.000) 3.409 16.285 ( -0.164 13.915 0.000) 13.916 16.821 ( -14.791 -4.960 0.000) 15.601 18.053 ( 12.555 -25.819 0.000) 28.709 24.133 ( 0.249 1.327 0.000) 1.350 24.298 ( 0.026 -2.400 0.000) 2.400 ======================= Grid point 102 (37/160) ======================= q-point: ( 0.26 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.728 ( 9.460 16.385 0.000) 18.919 6.407 ( 4.327 7.495 0.000) 8.655 6.871 ( -3.255 -5.637 0.000) 6.510 7.989 ( 0.864 1.496 0.000) 1.727 8.375 ( 4.108 7.115 0.000) 8.216 8.514 ( 18.457 31.969 0.000) 36.914 9.494 ( 8.835 15.303 0.000) 17.671 9.602 ( 10.703 18.538 0.000) 21.406 10.066 ( 8.189 14.183 0.000) 16.377 10.169 ( 6.637 11.496 0.000) 13.275 10.343 ( -4.001 -6.930 0.000) 8.003 10.551 ( 5.462 9.461 0.000) 10.925 11.390 ( -5.701 -9.874 0.000) 11.402 11.581 ( 6.392 11.071 0.000) 12.784 11.876 ( 0.527 0.912 0.000) 1.053 12.209 ( -1.453 -2.517 0.000) 2.906 13.254 ( 3.096 5.362 0.000) 6.192 14.283 ( -4.491 -7.779 0.000) 8.982 16.166 ( 4.274 7.404 0.000) 8.549 16.202 ( 0.183 0.316 0.000) 0.365 17.669 ( -8.600 -14.895 0.000) 17.200 17.682 ( -11.520 -19.954 0.000) 23.041 24.104 ( 1.090 1.887 0.000) 2.179 24.334 ( -1.731 -2.998 0.000) 3.462 ======================= Grid point 103 (38/160) ======================= q-point: ( 0.32 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 724 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.018 ( 7.013 13.414 0.000) 15.137 6.506 ( 1.337 3.803 0.000) 4.032 6.730 ( -4.111 -8.933 0.000) 9.834 8.014 ( -5.043 10.517 0.000) 11.664 8.497 ( 5.942 -0.039 0.000) 5.942 9.005 ( -1.144 36.886 0.000) 36.904 9.807 ( 10.564 13.636 0.000) 17.249 9.900 ( 5.753 10.025 0.000) 11.558 10.225 ( -3.133 0.022 0.000) 3.133 10.250 ( -9.286 23.155 0.000) 24.948 10.357 ( 2.794 7.857 0.000) 8.339 10.711 ( 13.909 -9.618 0.000) 16.910 11.145 ( -11.013 -4.787 0.000) 12.008 11.810 ( 15.271 -8.198 0.000) 17.332 11.861 ( 0.162 -3.949 0.000) 3.952 12.160 ( 0.817 -5.272 0.000) 5.335 13.362 ( -2.149 13.266 0.000) 13.439 14.151 ( 0.649 -11.760 0.000) 11.778 16.202 ( -0.775 1.158 0.000) 1.393 16.353 ( 6.286 12.929 0.000) 14.376 17.137 ( -26.507 -4.657 0.000) 26.913 17.584 ( 11.843 -27.353 0.000) 29.807 24.139 ( 0.863 1.872 0.000) 2.061 24.281 ( -1.058 -2.785 0.000) 2.979 ======================= Grid point 104 (39/160) ======================= q-point: ( 0.37 0.26 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.167 ( -4.628 8.016 0.000) 9.256 6.535 ( -1.078 1.867 0.000) 2.156 6.626 ( 4.111 -7.121 0.000) 8.222 8.022 ( -7.958 13.784 0.000) 15.917 8.552 ( 3.047 -5.277 0.000) 6.094 9.176 ( -19.332 33.484 0.000) 38.664 9.976 ( 1.593 -2.760 0.000) 3.186 10.020 ( -6.591 11.415 0.000) 13.181 10.222 ( -5.332 9.236 0.000) 10.665 10.234 ( -7.028 12.172 0.000) 14.056 10.420 ( -3.088 5.349 0.000) 6.177 10.813 ( -0.753 1.304 0.000) 1.506 10.994 ( 7.725 -13.380 0.000) 15.449 11.837 ( 2.646 -4.583 0.000) 5.292 11.902 ( 9.805 -16.983 0.000) 19.610 12.141 ( 3.221 -5.578 0.000) 6.441 13.413 ( -8.692 15.055 0.000) 17.384 14.095 ( 7.151 -12.385 0.000) 14.301 16.201 ( -0.815 1.412 0.000) 1.630 16.575 ( -7.438 12.883 0.000) 14.876 16.780 ( -2.051 3.552 0.000) 4.101 17.549 ( 14.721 -25.498 0.000) 29.442 24.159 ( -0.786 1.361 0.000) 1.572 24.254 ( 1.142 -1.979 0.000) 2.285 ======================= Grid point 123 (40/160) ======================= q-point: ( 0.32 0.32 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.265 ( 6.581 11.399 0.000) 13.162 6.535 ( -5.892 -10.204 0.000) 11.783 6.553 ( 0.663 1.148 0.000) 1.326 8.218 ( 5.234 9.065 0.000) 10.468 8.437 ( -2.962 -5.131 0.000) 5.925 9.595 ( 11.550 20.005 0.000) 23.100 9.942 ( -0.925 -1.601 0.000) 1.849 10.052 ( 7.134 12.357 0.000) 14.268 10.348 ( 4.850 8.401 0.000) 9.700 10.374 ( -8.558 -14.823 0.000) 17.116 10.460 ( 0.656 1.135 0.000) 1.311 10.725 ( 9.095 15.753 0.000) 18.190 10.993 ( -6.000 -10.392 0.000) 12.000 11.677 ( -2.604 -4.511 0.000) 5.208 11.786 ( -1.572 -2.723 0.000) 3.144 12.081 ( -1.327 -2.299 0.000) 2.654 13.614 ( 6.714 11.630 0.000) 13.429 13.921 ( -6.341 -10.983 0.000) 12.682 16.214 ( 0.155 0.268 0.000) 0.310 16.659 ( 10.634 18.419 0.000) 21.268 17.063 ( -6.580 -11.396 0.000) 13.159 17.093 ( -8.074 -13.985 0.000) 16.148 24.177 ( 1.116 1.933 0.000) 2.232 24.230 ( -1.307 -2.264 0.000) 2.614 ======================= Grid point 379 (41/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.000 -0.000 40.144) 40.144 0.767 ( 0.000 0.000 40.144) 40.144 1.652 ( 0.000 -0.000 86.302) 86.302 3.818 ( -0.000 -0.000 -16.647) 16.647 3.818 ( -0.000 -0.000 -16.647) 16.647 5.944 ( -0.000 -0.000 15.115) 15.115 5.944 ( 0.000 -0.000 15.115) 15.115 7.671 ( 0.000 -0.000 -23.682) 23.682 8.114 ( 0.000 0.000 -15.654) 15.654 8.114 ( 0.000 -0.000 -15.654) 15.654 9.770 ( 0.000 0.000 9.453) 9.453 9.770 ( 0.000 0.000 9.453) 9.453 10.522 ( -0.000 -0.000 -2.179) 2.179 10.522 ( 0.000 -0.000 -2.179) 2.179 14.079 ( 0.000 0.000 0.721) 0.721 14.484 ( 0.000 0.000 -4.797) 4.797 15.315 ( -0.000 -0.000 6.602) 6.602 15.805 ( 0.000 0.000 0.103) 0.103 15.805 ( 0.000 0.000 0.103) 0.103 15.814 ( 0.000 -0.000 -0.009) 0.009 15.814 ( 0.000 -0.000 -0.009) 0.009 16.123 ( 0.000 0.000 -3.795) 3.795 23.864 ( 0.000 -0.000 4.654) 4.654 24.770 ( 0.000 -0.000 -5.673) 5.673 ======================= Grid point 380 (42/160) ======================= q-point: ( 0.05 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 29.740 17.171 25.933) 43.033 1.538 ( 35.609 20.559 37.921) 55.934 2.026 ( 41.954 24.222 54.966) 73.267 3.884 ( 5.799 3.348 -15.824) 17.183 4.117 ( 25.883 14.943 -16.814) 34.292 5.999 ( 4.810 2.777 14.708) 15.721 6.056 ( 9.676 5.587 14.859) 18.591 7.677 ( 0.597 0.344 -22.851) 22.861 8.149 ( 3.086 1.782 -15.769) 16.167 8.173 ( 3.952 2.282 -12.995) 13.773 9.326 ( -19.570 -11.299 40.573) 46.441 9.759 ( -0.937 -0.541 9.710) 9.770 10.535 ( 1.169 0.675 -2.330) 2.693 10.544 ( 1.928 1.113 -2.477) 3.330 12.682 ( -36.449 -21.044 45.883) 62.262 14.383 ( -15.300 -8.833 -9.869) 20.237 14.777 ( -21.702 -12.530 10.353) 27.114 15.629 ( -6.517 -3.763 -4.797) 8.924 15.806 ( 0.459 0.265 0.237) 0.580 15.839 ( 1.740 1.004 -0.147) 2.014 16.396 ( 31.988 18.468 1.874) 36.984 18.590 ( 85.456 49.338 -105.723) 144.618 23.867 ( 0.278 0.160 4.554) 4.565 24.758 ( -0.971 -0.561 -5.674) 5.784 ======================= Grid point 381 (43/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 35.511 20.502 15.218) 43.737 2.145 ( 25.725 14.852 48.760) 57.096 3.350 ( 65.493 37.812 16.137) 77.327 4.076 ( 11.190 6.461 -13.664) 18.806 4.904 ( 41.848 24.161 -18.275) 51.662 6.156 ( 9.012 5.203 13.590) 17.117 6.352 ( 15.902 9.181 14.275) 23.258 7.707 ( 2.379 1.373 -20.019) 20.206 8.234 ( 1.430 0.825 -1.803) 2.444 8.249 ( 5.657 3.266 -16.139) 17.411 9.253 ( 10.834 6.255 22.444) 25.695 9.731 ( -1.498 -0.865 10.494) 10.636 10.574 ( 2.199 1.270 -2.731) 3.730 10.610 ( 3.999 2.309 -3.150) 5.590 12.260 ( -10.146 -5.858 20.726) 23.808 13.709 ( -35.479 -20.484 -4.806) 41.249 14.615 ( -0.696 -0.402 5.462) 5.521 15.424 ( -11.704 -6.757 -4.431) 14.222 15.825 ( 1.139 0.658 0.388) 1.372 15.885 ( 2.258 1.304 -0.305) 2.625 17.073 ( 27.435 15.840 2.938) 31.815 19.647 ( 20.663 11.930 -65.704) 69.902 23.877 ( 0.651 0.376 4.275) 4.341 24.728 ( -1.634 -0.943 -5.654) 5.960 ======================= Grid point 382 (44/160) ======================= q-point: ( 0.16 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 36.111 20.849 10.056) 42.893 2.757 ( 28.431 16.415 37.523) 49.858 4.380 ( 15.667 9.046 -10.886) 21.114 4.832 ( 65.470 37.799 7.800) 76.000 5.885 ( 41.766 24.114 -22.457) 53.200 6.396 ( 12.122 6.999 12.010) 18.444 6.759 ( 21.467 12.394 14.499) 28.717 7.801 ( 6.319 3.649 -14.630) 16.349 8.266 ( 1.960 1.131 3.525) 4.189 8.396 ( 7.281 4.204 -16.825) 18.809 9.666 ( 23.559 13.602 7.640) 28.256 9.695 ( -1.572 -0.907 11.848) 11.987 10.632 ( 2.960 1.709 -3.262) 4.725 10.728 ( 6.722 3.881 -3.694) 8.597 12.010 ( -15.483 -8.939 10.737) 20.855 12.986 ( -25.858 -14.929 -2.926) 30.002 14.618 ( 0.159 0.092 3.238) 3.244 15.113 ( -15.442 -8.916 -2.862) 18.059 15.850 ( 0.940 0.543 0.537) 1.212 15.936 ( 2.159 1.246 -0.447) 2.533 17.608 ( 19.693 11.370 3.751) 23.047 19.846 ( 0.710 0.410 -36.292) 36.301 23.897 ( 1.127 0.651 3.874) 4.086 24.685 ( -2.190 -1.264 -5.334) 5.903 ======================= Grid point 383 (45/160) ======================= q-point: ( 0.21 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( 28.965 16.723 28.164) 43.725 3.537 ( 35.021 20.220 7.072) 41.053 4.769 ( 18.651 10.768 -8.178) 23.037 6.261 ( 60.240 34.780 2.690) 69.612 6.548 ( 16.157 9.328 -19.218) 26.784 6.690 ( 13.848 7.995 10.240) 18.988 7.475 ( 42.599 24.594 6.497) 49.616 7.979 ( 8.419 4.861 -8.016) 12.600 8.347 ( 6.303 3.639 4.898) 8.773 8.567 ( 7.655 4.420 -17.881) 19.946 9.663 ( -1.280 -0.739 13.817) 13.896 10.244 ( 26.749 15.443 2.458) 30.985 10.704 ( 3.351 1.935 -3.784) 5.412 10.919 ( 10.216 5.898 -3.844) 12.406 11.494 ( -28.362 -16.375 8.671) 33.879 12.614 ( -8.832 -5.099 -5.671) 11.669 14.548 ( -10.403 -6.006 2.972) 12.375 14.805 ( -7.784 -4.494 -0.914) 9.034 15.861 ( -0.091 -0.053 0.740) 0.747 15.979 ( 1.582 0.914 -0.616) 1.928 17.942 ( 9.661 5.578 4.435) 12.005 19.775 ( -5.765 -3.329 -21.457) 22.466 23.928 ( 1.602 0.925 3.409) 3.878 24.631 ( -2.594 -1.497 -4.752) 5.617 ======================= Grid point 384 (46/160) ======================= q-point: ( 0.26 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( 27.609 15.940 21.368) 38.379 4.301 ( 32.702 18.881 5.037) 38.096 5.204 ( 19.648 11.344 -5.919) 23.447 6.718 ( 3.648 2.106 -13.435) 14.080 7.007 ( 14.086 8.133 8.484) 18.345 7.544 ( 50.203 28.985 -1.337) 57.985 8.052 ( 1.398 0.807 -6.851) 7.039 8.467 ( 29.094 16.797 0.017) 33.595 8.696 ( 35.170 20.305 7.863) 41.365 8.730 ( 6.593 3.806 -19.169) 20.625 9.640 ( -0.724 -0.418 16.259) 16.280 10.764 ( -6.415 -3.703 2.531) 7.827 10.780 ( 3.331 1.923 -4.198) 5.694 10.890 ( 5.755 3.323 5.597) 8.689 11.232 ( 14.013 8.091 -1.090) 16.218 12.485 ( -4.086 -2.359 -12.698) 13.546 14.165 ( -20.002 -11.548 7.374) 24.245 14.759 ( 0.400 0.231 -1.393) 1.468 15.844 ( -1.373 -0.793 1.015) 1.883 16.005 ( 0.655 0.378 -0.828) 1.121 18.032 ( -1.644 -0.949 5.578) 5.892 19.625 ( -6.959 -4.018 -14.086) 16.217 23.968 ( 1.930 1.114 2.920) 3.673 24.570 ( -2.802 -1.618 -4.021) 5.161 ======================= Grid point 385 (47/160) ======================= q-point: ( 0.32 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( 24.958 14.410 16.307) 33.113 4.998 ( 29.012 16.750 3.444) 33.677 5.636 ( 18.408 10.628 -4.181) 21.663 6.760 ( 0.760 0.439 -8.647) 8.692 7.313 ( 12.867 7.429 6.869) 16.369 7.976 ( -5.714 -3.299 -4.226) 7.835 8.439 ( 25.961 14.989 -9.060) 31.316 8.853 ( 4.154 2.398 -19.948) 20.517 8.987 ( 22.155 12.791 8.150) 26.850 9.632 ( 0.124 0.071 18.398) 18.399 9.704 ( 45.278 26.141 3.933) 52.430 10.374 ( -7.832 -4.522 5.024) 10.345 10.851 ( 2.931 1.692 -4.468) 5.605 11.358 ( 19.379 11.188 1.270) 22.412 11.602 ( 17.713 10.227 -1.337) 20.497 12.400 ( -3.504 -2.023 -21.952) 22.322 13.722 ( -18.406 -10.627 15.591) 26.359 14.771 ( 0.347 0.200 -3.071) 3.097 15.802 ( -2.274 -1.313 1.318) 2.938 16.008 ( -0.346 -0.200 -1.047) 1.121 17.881 ( -11.131 -6.426 7.686) 14.975 19.472 ( -6.734 -3.888 -10.973) 13.449 24.013 ( 2.022 1.167 2.429) 3.369 24.507 ( -2.788 -1.609 -3.249) 4.573 ======================= Grid point 386 (48/160) ======================= q-point: ( 0.37 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.161 ( 21.327 12.313 12.230) 27.496 5.593 ( 23.591 13.620 2.079) 27.320 6.015 ( 14.967 8.641 -2.893) 17.523 6.768 ( 0.127 0.073 -4.167) 4.170 7.576 ( 10.325 5.961 5.489) 13.125 7.801 ( -9.274 -5.354 -1.578) 10.825 8.743 ( 1.335 0.771 -3.632) 3.945 8.912 ( 1.155 0.667 -18.995) 19.042 9.361 ( 14.209 8.203 2.644) 16.618 9.646 ( 0.991 0.572 18.908) 18.943 10.494 ( 22.031 12.719 5.745) 26.080 10.713 ( 35.739 20.634 -3.270) 41.397 10.910 ( 2.245 1.296 -4.609) 5.288 11.669 ( 6.577 3.797 -2.490) 7.992 11.991 ( 16.141 9.319 -1.210) 18.677 12.361 ( 1.666 0.962 -24.032) 24.109 13.378 ( -11.349 -6.553 23.181) 26.629 14.770 ( -0.490 -0.283 -4.928) 4.960 15.748 ( -2.433 -1.405 1.579) 3.223 15.991 ( -1.019 -0.588 -1.224) 1.698 17.568 ( -15.755 -9.096 10.530) 21.020 19.320 ( -6.792 -3.922 -10.168) 12.842 24.057 ( 1.864 1.076 1.956) 2.908 24.446 ( -2.511 -1.450 -2.530) 3.848 ======================= Grid point 387 (49/160) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.586 ( 16.063 9.274 8.749) 20.507 6.042 ( 15.996 9.236 0.922) 18.494 6.295 ( 9.629 5.559 -1.985) 11.294 6.769 ( -0.102 -0.059 -0.784) 0.793 7.585 ( -9.209 -5.317 1.999) 10.820 7.769 ( 6.691 3.863 4.451) 8.916 8.627 ( -7.705 -4.449 4.833) 10.125 8.913 ( -0.758 -0.438 -16.568) 16.591 9.672 ( 1.170 0.676 17.826) 17.877 9.750 ( 19.557 11.291 -9.331) 24.435 10.874 ( 7.865 4.541 -8.319) 12.316 10.951 ( 1.392 0.804 -4.664) 4.933 11.428 ( 24.302 14.031 -2.026) 28.135 11.676 ( -0.966 -0.558 -2.175) 2.444 12.310 ( 11.920 6.882 -1.063) 13.805 12.489 ( 7.502 4.331 -10.773) 13.824 13.229 ( -2.120 -1.224 21.745) 21.882 14.751 ( -1.038 -0.599 -6.695) 6.802 15.699 ( -1.820 -1.051 1.752) 2.736 15.967 ( -1.054 -0.609 -1.330) 1.803 17.218 ( -14.263 -8.235 13.475) 21.280 19.174 ( -5.779 -3.336 -10.301) 12.273 24.095 ( 1.427 0.824 1.546) 2.259 24.396 ( -1.880 -1.085 -1.951) 2.919 ======================= Grid point 388 (50/160) ======================= q-point: ( 0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.853 ( 6.658 3.844 6.267) 9.919 6.294 ( 5.908 3.411 0.155) 6.824 6.440 ( 3.166 1.828 -1.458) 3.936 6.764 ( -0.230 -0.133 0.509) 0.574 7.424 ( -4.224 -2.439 5.780) 7.563 7.872 ( 2.318 1.338 3.883) 4.717 8.493 ( -3.368 -1.945 5.830) 7.008 8.894 ( -0.616 -0.355 -14.651) 14.669 9.692 ( 0.501 0.289 16.767) 16.777 10.175 ( 15.609 9.012 -11.067) 21.150 10.802 ( -9.732 -5.619 -27.888) 30.067 10.972 ( 0.469 0.271 -4.678) 4.710 11.628 ( 1.791 1.034 10.933) 11.127 11.880 ( 9.030 5.213 0.658) 10.447 12.508 ( 5.123 2.958 -0.738) 5.961 12.607 ( 2.329 1.345 -2.664) 3.785 13.239 ( 1.427 0.824 15.003) 15.093 14.731 ( -0.593 -0.342 -7.958) 7.987 15.670 ( -0.668 -0.386 1.832) 1.988 15.949 ( -0.444 -0.256 -1.374) 1.466 16.979 ( -5.979 -3.452 15.591) 17.051 19.078 ( -2.368 -1.367 -10.569) 10.917 24.118 ( 0.574 0.331 1.287) 1.448 24.366 ( -0.739 -0.427 -1.610) 1.822 ======================= Grid point 399 (51/160) ======================= q-point: ( 0.05 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 21.031 36.427 17.112) 45.410 1.989 ( 14.422 24.980 50.398) 58.068 2.938 ( 35.595 61.652 20.838) 74.177 4.074 ( 8.531 14.776 -15.951) 23.356 4.613 ( 20.675 35.810 -15.896) 44.300 6.112 ( 4.981 8.628 13.980) 17.167 6.252 ( 8.026 13.902 14.373) 21.546 7.693 ( 0.830 1.438 -21.049) 21.114 8.218 ( 0.935 1.619 -4.901) 5.246 8.226 ( 3.441 5.961 -16.072) 17.484 9.201 ( 2.141 3.708 28.862) 29.178 9.742 ( -0.647 -1.120 10.270) 10.351 10.567 ( 1.479 2.561 -2.614) 3.947 10.583 ( 1.695 2.935 -2.951) 4.494 12.338 ( -6.526 -11.303 25.474) 28.623 13.908 ( -21.099 -36.544 -5.702) 42.581 14.619 ( -1.346 -2.332 6.380) 6.925 15.488 ( -6.075 -10.522 -4.865) 13.088 15.826 ( 0.643 1.114 0.416) 1.352 15.867 ( 1.480 2.564 0.116) 2.962 16.915 ( 17.218 29.823 2.456) 34.524 19.487 ( 17.860 30.935 -77.189) 85.053 23.874 ( 0.308 0.533 4.368) 4.411 24.738 ( -0.847 -1.468 -5.684) 5.931 ======================= Grid point 400 (52/160) ======================= q-point: ( 0.11 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 25.597 35.068 12.497) 45.180 2.531 ( 21.526 24.358 39.781) 51.374 4.131 ( 35.420 32.982 1.608) 48.425 4.513 ( 22.684 43.667 -5.061) 49.467 5.458 ( 37.064 32.452 -18.098) 52.482 6.324 ( 8.032 11.903 12.717) 19.181 6.574 ( 14.181 13.042 13.924) 23.772 7.746 ( 3.530 2.789 -17.014) 17.599 8.242 ( 1.331 0.525 2.002) 2.461 8.372 ( 4.824 8.908 -16.480) 19.345 9.463 ( 15.501 14.873 11.366) 24.303 9.718 ( -1.218 -0.316 11.367) 11.436 10.629 ( 1.605 4.753 -3.134) 5.915 10.668 ( 4.907 3.743 -3.451) 7.071 12.171 ( -8.406 -2.998 12.826) 15.626 13.150 ( -23.573 -35.041 -2.023) 42.281 14.609 ( 0.490 -0.088 3.089) 3.129 15.227 ( -10.898 -13.295 -3.976) 17.645 15.851 ( 0.602 1.739 0.851) 2.028 15.926 ( 1.936 3.026 0.165) 3.596 17.463 ( 16.579 22.010 3.054) 27.725 19.807 ( 4.215 3.107 -44.606) 44.912 23.889 ( 0.720 0.806 4.033) 4.175 24.702 ( -1.518 -1.759 -5.483) 5.955 ======================= Grid point 401 (53/160) ======================= q-point: ( 0.16 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 24.365 22.817 30.619) 45.296 3.285 ( 26.917 33.772 8.263) 43.970 4.679 ( 13.155 22.065 -9.314) 27.326 5.728 ( 49.903 51.304 4.051) 71.686 6.322 ( 27.157 19.721 -22.282) 40.285 6.604 ( 9.813 14.283 11.085) 20.572 7.048 ( 29.925 17.748 13.248) 37.229 7.876 ( 7.749 3.915 -11.107) 14.098 8.290 ( 3.513 1.773 3.562) 5.307 8.550 ( 4.522 10.873 -17.093) 20.756 9.692 ( -1.585 0.927 12.525) 12.659 9.943 ( 22.800 13.322 4.087) 26.721 10.718 ( 2.057 7.561 -3.494) 8.579 10.828 ( 8.109 6.720 -3.746) 11.178 11.847 ( -26.915 -8.337 7.819) 29.242 12.589 ( -5.075 -24.087 -1.793) 24.681 14.606 ( -1.900 -1.486 1.519) 2.851 14.886 ( -11.745 -14.026 -2.097) 18.414 15.875 ( -0.058 1.966 1.278) 2.345 15.983 ( 0.965 3.454 0.057) 3.586 17.873 ( 10.128 14.612 3.496) 18.119 19.787 ( -2.529 -6.760 -26.126) 27.105 23.914 ( 1.198 1.090 3.606) 3.953 24.653 ( -2.042 -1.991 -5.005) 5.761 ======================= Grid point 402 (54/160) ======================= q-point: ( 0.21 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 25.063 20.844 23.257) 40.044 4.052 ( 26.179 31.252 5.778) 41.176 5.121 ( 12.242 24.961 -7.264) 28.735 6.677 ( 6.186 6.235 -14.916) 17.310 6.918 ( 11.531 15.947 8.620) 21.485 7.040 ( 47.627 41.424 1.347) 63.136 7.926 ( 36.328 18.813 -2.853) 41.009 8.056 ( 15.369 5.108 -1.298) 16.247 8.435 ( 11.938 5.407 4.403) 13.825 8.731 ( 4.168 11.893 -17.136) 21.271 9.680 ( -1.731 2.717 14.213) 14.574 10.429 ( 22.507 3.044 0.400) 22.716 10.873 ( 4.953 14.934 -2.795) 15.980 11.047 ( 2.008 4.612 -3.615) 6.195 11.236 ( -22.173 -7.041 8.422) 24.742 12.423 ( 2.767 -13.250 -6.810) 15.153 14.358 ( -17.290 -13.036 3.140) 21.880 14.724 ( 1.471 -4.033 -1.442) 4.529 15.882 ( -1.610 2.182 1.670) 3.185 16.022 ( -0.305 3.331 -0.155) 3.349 18.070 ( 0.444 6.927 4.115) 8.069 19.639 ( -3.867 -10.755 -16.311) 19.917 23.950 ( 1.617 1.295 3.133) 3.756 24.595 ( -2.381 -2.132 -4.336) 5.387 ======================= Grid point 403 (55/160) ======================= q-point: ( 0.26 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.382 ( 23.927 18.335 17.755) 34.984 4.766 ( 24.186 27.665 3.972) 36.961 5.569 ( 11.187 25.690 -5.308) 28.519 6.766 ( 0.754 3.037 -10.024) 10.501 7.239 ( 9.364 15.389 7.497) 19.512 8.019 ( 1.138 2.294 -5.562) 6.124 8.137 ( 30.787 24.658 -4.979) 39.757 8.704 ( 22.268 10.252 -0.196) 24.516 8.810 ( 11.653 5.912 -11.376) 17.325 9.141 ( 36.720 19.237 3.692) 41.618 9.712 ( 1.655 8.836 13.577) 16.284 10.582 ( -21.290 -6.492 6.634) 23.225 10.708 ( 10.404 -4.702 -2.184) 11.624 11.214 ( 14.304 16.939 -0.005) 22.170 11.449 ( 14.119 14.211 -1.547) 20.092 12.358 ( 2.223 -9.749 -14.970) 18.002 13.910 ( -18.443 -14.310 9.482) 25.196 14.730 ( 2.517 -3.148 -2.945) 4.992 15.863 ( -3.378 2.551 1.976) 4.671 16.037 ( -1.486 2.760 -0.419) 3.163 18.019 ( -9.680 -0.803 5.613) 11.218 19.471 ( -2.670 -11.880 -11.561) 16.791 23.992 ( 1.855 1.357 2.644) 3.503 24.533 ( -2.504 -2.166 -3.579) 4.876 ======================= Grid point 404 (56/160) ======================= q-point: ( 0.32 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.932 ( 21.534 15.482 13.482) 29.752 5.394 ( 20.809 22.760 2.490) 30.939 5.984 ( 8.445 24.714 -3.841) 26.398 6.789 ( -0.891 2.582 -5.595) 6.227 7.527 ( 7.393 14.288 6.033) 17.182 7.904 ( -8.132 -3.760 -2.455) 9.289 8.701 ( 11.016 11.968 -10.189) 19.194 8.911 ( 3.247 3.989 -18.089) 18.806 9.203 ( 14.488 8.965 8.978) 19.258 9.602 ( 7.675 1.093 17.161) 18.831 10.248 ( 35.048 25.774 3.279) 43.628 10.404 ( 6.142 6.833 2.598) 9.548 10.813 ( 6.862 -4.299 -3.995) 9.029 11.592 ( 11.885 11.316 0.410) 16.416 11.835 ( 14.637 13.326 -1.493) 19.851 12.309 ( 2.291 -6.461 -23.226) 24.216 13.496 ( -14.083 -12.274 18.244) 26.112 14.736 ( 2.004 -3.725 -4.653) 6.288 15.822 ( -4.606 3.117 2.130) 5.956 16.028 ( -2.333 2.111 -0.673) 3.217 17.756 ( -16.010 -6.694 8.198) 19.192 19.316 ( -2.092 -12.032 -9.915) 15.730 24.037 ( 1.861 1.272 2.158) 3.120 24.470 ( -2.380 -2.079 -2.830) 4.242 ======================= Grid point 405 (57/160) ======================= q-point: ( 0.37 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.402 ( 17.877 12.248 9.896) 23.823 5.897 ( 15.754 16.423 1.388) 22.800 6.320 ( 3.821 22.414 -2.843) 22.915 6.792 ( -1.457 2.176 -1.942) 3.261 7.704 ( -9.914 -3.915 0.719) 10.683 7.760 ( 4.012 12.296 4.855) 13.815 8.757 ( -7.593 2.386 -0.042) 7.959 8.983 ( -2.951 6.568 -15.780) 17.345 9.499 ( 17.018 5.609 -3.165) 18.196 9.702 ( 1.807 5.913 16.723) 17.829 10.718 ( 13.777 6.680 -2.299) 15.482 10.874 ( 6.834 -2.286 -2.414) 7.600 11.080 ( 33.596 16.183 -1.087) 37.307 11.756 ( -2.435 5.256 -5.358) 7.891 12.176 ( 12.417 9.232 -1.883) 15.587 12.371 ( 9.213 0.305 -17.167) 19.485 13.232 ( -4.686 -8.309 23.269) 25.149 14.725 ( 1.329 -4.206 -6.308) 7.697 15.774 ( -4.909 3.911 2.100) 6.619 16.003 ( -2.603 1.728 -0.870) 3.243 17.392 ( -16.637 -9.107 11.325) 22.090 19.165 ( -1.833 -11.754 -9.771) 15.395 24.078 ( 1.615 1.062 1.706) 2.578 24.414 ( -1.947 -1.840 -2.176) 3.451 ======================= Grid point 406 (58/160) ======================= q-point: ( 0.42 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.754 ( 11.409 7.803 6.960) 15.475 6.231 ( 8.550 9.251 0.995) 12.636 6.537 ( -2.298 19.074 -2.393) 19.360 6.782 ( -1.532 0.990 -0.400) 1.867 7.510 ( -8.299 -1.890 5.109) 9.927 7.909 ( 0.199 10.253 3.936) 10.985 8.634 ( -9.775 6.095 4.536) 12.380 8.968 ( -4.889 5.913 -14.196) 16.137 9.709 ( 1.112 3.665 13.667) 14.194 9.952 ( 19.095 8.866 -8.484) 22.698 10.726 ( -1.648 -14.822 -14.140) 20.552 11.047 ( 3.598 5.657 -4.791) 8.241 11.632 ( 12.400 7.984 -1.040) 14.785 11.746 ( 2.879 5.158 1.645) 6.132 12.426 ( 8.600 4.835 -1.518) 9.982 12.538 ( 7.163 0.569 -6.045) 9.390 13.170 ( 3.666 -4.834 18.736) 19.694 14.704 ( 1.196 -4.184 -7.744) 8.883 15.738 ( -4.374 4.911 1.919) 6.851 15.979 ( -2.180 1.770 -0.985) 2.976 17.068 ( -10.856 -7.211 14.207) 19.280 19.040 ( 0.224 -10.333 -10.069) 14.429 24.110 ( 1.013 0.691 1.354) 1.827 24.372 ( -1.067 -1.365 -1.702) 2.429 ======================= Grid point 407 (59/160) ======================= q-point: ( 0.47 0.05 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.898 ( -0.432 0.748 5.641) 5.707 6.351 ( -1.359 2.354 1.112) 2.937 6.610 ( -8.831 15.295 -2.361) 17.818 6.770 ( -0.380 0.657 -0.503) 0.911 7.424 ( -1.586 2.748 7.641) 8.273 7.961 ( -4.411 7.640 3.615) 9.534 8.579 ( -6.143 10.641 5.072) 13.292 8.953 ( -3.661 6.341 -13.555) 15.406 9.732 ( -2.145 3.715 15.132) 15.728 10.272 ( 0.294 -0.509 -7.745) 7.768 10.528 ( 8.384 -14.521 -23.079) 28.527 11.091 ( -3.249 5.627 -8.055) 10.348 11.695 ( -3.336 5.779 7.650) 10.151 11.890 ( 2.464 -4.269 0.556) 4.960 12.533 ( 0.245 -0.424 -1.685) 1.755 12.594 ( 1.519 -2.631 -1.446) 3.364 13.193 ( 3.150 -5.456 14.499) 15.809 14.692 ( 2.077 -3.598 -8.401) 9.372 15.724 ( -3.354 5.809 1.790) 6.942 15.969 ( -1.269 2.199 -1.019) 2.735 16.933 ( 0.647 -1.121 15.511) 15.564 18.989 ( 4.483 -7.766 -10.235) 13.607 24.122 ( -0.048 0.082 1.213) 1.216 24.356 ( 0.335 -0.580 -1.521) 1.662 ======================= Grid point 420 (60/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 16.553 28.670 31.811) 45.912 3.234 ( 22.566 39.085 7.992) 45.833 4.681 ( 15.561 26.953 -8.845) 32.355 5.586 ( 34.858 60.376 1.890) 69.742 6.137 ( 19.965 34.581 -19.701) 44.526 6.604 ( 9.411 16.301 11.626) 22.123 6.873 ( 11.324 19.614 14.198) 26.730 7.825 ( 3.213 5.566 -12.361) 13.932 8.268 ( 1.368 2.370 2.991) 4.054 8.574 ( 6.469 11.204 -17.280) 21.587 9.718 ( 0.199 0.345 12.497) 12.504 9.800 ( 10.810 18.723 4.606) 22.105 10.755 ( 3.693 6.397 -3.439) 8.148 10.777 ( 5.547 9.608 -3.630) 11.673 12.126 ( -2.039 -3.532 6.593) 7.752 12.421 ( -21.250 -36.806 1.230) 42.518 14.611 ( 0.078 0.136 0.580) 0.601 14.917 ( -10.487 -18.163 -3.019) 21.189 15.888 ( 1.116 1.932 1.863) 2.907 15.994 ( 2.111 3.657 0.693) 4.279 17.865 ( 10.423 18.054 2.766) 21.029 19.768 ( -3.754 -6.503 -28.175) 29.159 23.909 ( 0.757 1.311 3.682) 3.981 24.661 ( -1.401 -2.426 -5.089) 5.809 ======================= Grid point 421 (61/160) ======================= q-point: ( 0.16 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( 19.725 26.072 24.183) 40.665 3.989 ( 22.311 37.198 5.601) 43.736 5.202 ( 13.059 30.357 -8.809) 34.201 6.626 ( 9.697 11.547 -15.972) 21.965 6.763 ( 36.146 52.052 0.665) 63.375 6.947 ( 10.705 22.155 10.282) 26.668 7.473 ( 33.646 26.010 7.921) 43.259 7.957 ( 5.733 4.459 -7.579) 10.497 8.344 ( 4.703 3.837 2.657) 6.625 8.787 ( 4.718 12.709 -17.356) 22.023 9.730 ( -0.501 2.681 13.244) 13.522 10.159 ( 14.732 9.117 1.395) 17.381 10.905 ( 5.377 10.192 -2.915) 11.887 11.027 ( 9.064 14.736 -4.289) 17.824 11.629 ( -31.981 -15.952 5.806) 36.207 12.158 ( 8.706 -16.803 0.113) 18.925 14.501 ( -15.081 -13.726 -0.570) 20.400 14.640 ( 1.938 -6.254 -1.913) 6.821 15.921 ( 0.103 2.547 2.811) 3.795 16.058 ( 0.883 3.914 0.892) 4.110 18.134 ( 3.715 11.287 2.448) 12.132 19.585 ( -5.280 -13.669 -17.749) 23.017 23.940 ( 1.190 1.522 3.258) 3.787 24.608 ( -1.874 -2.575 -4.500) 5.513 ======================= Grid point 422 (62/160) ======================= q-point: ( 0.21 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( 20.540 22.786 18.419) 35.783 4.698 ( 20.456 33.754 3.694) 39.642 5.707 ( 9.417 34.094 -7.341) 36.125 6.785 ( 2.095 5.235 -9.848) 11.348 7.274 ( 8.198 20.226 8.063) 23.266 7.872 ( 32.919 42.111 -2.566) 53.513 8.050 ( 1.220 1.540 -4.872) 5.253 8.346 ( 37.051 18.220 0.306) 41.289 8.551 ( 16.085 6.545 3.494) 17.714 9.004 ( 7.328 15.409 -13.794) 21.941 9.761 ( 0.385 4.900 12.807) 13.717 10.447 ( 13.539 0.338 -0.656) 13.559 10.945 ( -24.283 -7.637 4.230) 25.805 11.168 ( 7.760 13.711 -0.088) 15.755 11.397 ( 10.825 16.477 -1.951) 19.811 12.148 ( 7.497 -13.881 -5.938) 16.857 14.066 ( -17.359 -16.279 3.379) 24.037 14.641 ( 2.925 -4.552 -3.756) 6.587 15.937 ( -1.567 3.209 3.439) 4.958 16.096 ( -0.961 3.896 0.832) 4.098 18.186 ( -7.051 4.460 2.726) 8.777 19.358 ( -2.512 -17.899 -11.668) 21.513 23.978 ( 1.522 1.587 2.792) 3.554 24.549 ( -2.149 -2.633 -3.791) 5.091 ======================= Grid point 423 (63/160) ======================= q-point: ( 0.26 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.750 ( 19.695 19.162 14.035) 30.855 5.324 ( 17.628 28.290 2.092) 33.398 6.175 ( 5.519 35.567 -5.977) 36.485 6.839 ( -0.686 4.335 -5.535) 7.064 7.588 ( 5.870 19.700 6.674) 21.612 7.999 ( -6.012 -1.283 -2.408) 6.602 8.603 ( 17.952 19.110 -11.403) 28.592 8.870 ( 8.201 6.612 -11.162) 15.348 9.005 ( 23.592 15.724 8.784) 29.681 9.433 ( 17.610 12.653 6.353) 22.596 9.938 ( 19.208 11.440 3.861) 22.688 10.581 ( -13.806 7.482 7.104) 17.235 10.625 ( 9.626 -3.846 -2.309) 10.620 11.489 ( 12.907 11.853 0.454) 17.530 11.760 ( 12.028 15.916 -2.890) 20.158 12.141 ( 6.706 -11.596 -13.379) 18.932 13.626 ( -16.424 -14.234 9.781) 23.833 14.642 ( 3.105 -5.822 -5.375) 8.510 15.931 ( -3.343 4.134 3.662) 6.456 16.102 ( -2.604 3.651 0.607) 4.525 17.987 ( -16.691 -2.736 4.438) 17.486 19.167 ( 1.113 -19.174 -8.975) 21.200 24.020 ( 1.673 1.499 2.308) 3.221 24.486 ( -2.190 -2.595 -3.050) 4.564 ======================= Grid point 424 (64/160) ======================= q-point: ( 0.32 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.235 ( 17.596 15.409 10.449) 25.617 5.832 ( 13.819 21.050 1.133) 25.206 6.574 ( 0.655 34.890 -5.065) 35.262 6.853 ( -2.164 3.479 -2.174) 4.638 7.841 ( -6.599 3.706 1.021) 7.637 7.854 ( 0.098 12.689 4.953) 13.622 8.914 ( -3.071 10.595 -7.543) 13.363 9.032 ( 9.642 8.820 -14.575) 19.575 9.354 ( 5.721 7.643 6.158) 11.360 9.695 ( 7.351 8.047 13.782) 17.571 10.555 ( 22.649 8.261 -4.198) 24.471 10.681 ( 14.918 4.921 -0.974) 15.739 10.743 ( 11.551 9.754 3.738) 15.574 11.774 ( 7.689 7.236 -0.432) 10.567 12.090 ( 10.776 11.581 -2.339) 15.992 12.179 ( 9.765 -6.138 -18.682) 21.956 13.266 ( -10.982 -10.601 17.523) 23.239 14.631 ( 3.014 -6.888 -6.724) 10.087 15.909 ( -4.651 5.525 3.438) 7.999 16.083 ( -3.554 3.393 0.311) 4.924 17.614 ( -19.858 -7.896 7.470) 22.638 19.010 ( 2.187 -19.123 -8.463) 21.026 24.062 ( 1.615 1.305 1.832) 2.769 24.426 ( -1.953 -2.446 -2.357) 3.918 ======================= Grid point 425 (65/160) ======================= q-point: ( 0.37 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.633 ( 13.657 11.291 7.379) 19.195 6.193 ( 8.923 13.424 1.597) 16.198 6.832 ( -3.018 1.441 -1.107) 3.523 6.862 ( -5.443 31.649 -5.132) 32.521 7.662 ( -10.320 0.765 5.712) 11.820 8.046 ( -0.281 16.240 3.863) 16.695 8.897 ( -9.390 12.848 -0.421) 15.919 9.157 ( -6.075 11.188 -11.053) 16.860 9.598 ( 15.396 5.303 -5.226) 17.101 9.858 ( 3.295 9.400 12.846) 16.255 10.619 ( -0.446 -11.352 -9.526) 14.826 10.954 ( 11.449 5.493 0.952) 12.734 11.324 ( 27.364 8.453 0.726) 28.650 11.861 ( -2.506 4.905 -5.193) 7.571 12.333 ( 8.497 6.273 -4.535) 11.494 12.367 ( 13.128 -0.952 -9.571) 16.274 13.075 ( -1.360 -6.957 21.006) 22.169 14.611 ( 2.936 -7.350 -7.914) 11.193 15.888 ( -5.234 7.508 2.744) 9.555 16.054 ( -3.623 3.306 0.036) 4.905 17.214 ( -16.284 -9.150 11.007) 21.681 18.871 ( 3.207 -18.202 -8.757) 20.452 24.098 ( 1.275 1.025 1.411) 2.161 24.375 ( -1.335 -2.133 -1.788) 3.087 ======================= Grid point 426 (66/160) ======================= q-point: ( 0.42 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.885 ( 5.304 5.558 5.263) 9.313 6.388 ( 2.164 6.824 3.312) 7.888 6.788 ( -1.760 -0.663 -2.465) 3.101 7.002 ( -11.708 26.866 -5.733) 29.862 7.541 ( -7.459 6.317 10.216) 14.139 8.151 ( -4.809 13.873 3.071) 15.001 8.878 ( -11.058 18.630 2.858) 21.853 9.137 ( -7.804 11.219 -11.111) 17.613 9.810 ( 1.062 6.268 7.704) 9.988 10.091 ( 16.529 4.908 -6.554) 18.446 10.413 ( -8.015 -15.187 -11.502) 20.668 11.109 ( 4.071 0.160 -1.055) 4.208 11.710 ( 13.753 -1.867 0.515) 13.888 11.845 ( -4.804 5.764 -2.250) 7.833 12.489 ( 5.459 0.588 -2.571) 6.063 12.513 ( 4.934 -2.269 -5.100) 7.450 13.055 ( 4.636 -6.206 17.571) 19.203 14.593 ( 3.417 -7.107 -8.821) 11.832 15.881 ( -5.559 9.523 1.812) 11.174 16.031 ( -2.795 3.439 -0.099) 4.433 16.942 ( -5.865 -5.498 13.878) 16.038 18.780 ( 6.308 -16.063 -9.075) 19.498 24.122 ( 0.456 0.556 1.139) 1.347 24.344 ( -0.151 -1.525 -1.444) 2.105 ======================= Grid point 440 (67/160) ======================= q-point: ( 0.16 0.16 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( 15.398 26.670 18.684) 36.021 4.696 ( 20.074 34.770 3.327) 40.286 5.814 ( 18.212 31.543 -8.768) 37.464 6.792 ( 3.560 6.165 -9.672) 12.010 7.312 ( 11.627 20.139 8.406) 24.727 7.843 ( 29.795 51.607 -0.938) 59.597 8.029 ( 10.988 19.032 1.165) 22.007 8.053 ( 9.347 16.190 -2.903) 18.919 8.450 ( 4.630 8.020 2.086) 9.493 9.029 ( 7.101 12.299 -16.118) 21.482 9.786 ( 1.600 2.770 13.102) 13.487 10.321 ( 4.518 7.826 -0.006) 9.037 11.076 ( 1.265 2.191 -3.438) 4.269 11.281 ( -6.143 -10.640 7.559) 14.425 11.366 ( 10.515 18.213 -5.242) 21.674 11.965 ( -2.761 -4.781 -0.626) 5.556 14.144 ( -11.746 -20.344 1.091) 23.517 14.583 ( -1.108 -1.919 -4.261) 4.803 15.967 ( 1.200 2.078 4.185) 4.825 16.125 ( 1.618 2.803 1.451) 3.547 18.283 ( 1.941 3.363 1.302) 4.095 19.275 ( -10.007 -17.332 -11.619) 23.141 23.973 ( 1.072 1.857 2.847) 3.564 24.554 ( -1.717 -2.975 -3.864) 5.170 ======================= Grid point 441 (68/160) ======================= q-point: ( 0.21 0.16 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( 16.143 22.652 14.348) 31.298 5.323 ( 16.690 29.679 1.327) 34.075 6.403 ( 11.940 36.224 -8.899) 39.166 6.882 ( 1.149 4.529 -4.824) 6.716 7.677 ( 7.935 20.313 7.831) 23.171 8.071 ( -2.080 0.679 -2.421) 3.263 8.529 ( 11.397 20.967 -5.229) 24.430 8.674 ( 20.627 9.970 -0.847) 22.926 8.860 ( 23.468 35.602 2.403) 42.709 9.306 ( 12.717 15.160 -9.380) 21.898 9.837 ( 2.653 2.337 10.764) 11.329 10.461 ( 6.591 0.965 -0.970) 6.732 10.883 ( -11.783 2.493 3.896) 12.659 11.421 ( 8.526 12.521 1.372) 15.210 11.697 ( 10.712 9.634 -7.719) 16.345 11.932 ( 4.940 -4.776 -1.688) 7.076 13.744 ( -13.890 -16.285 4.391) 21.850 14.547 ( 0.762 -5.064 -6.187) 8.031 15.999 ( -0.388 3.057 4.959) 5.839 16.163 ( -0.399 2.833 1.688) 3.322 18.230 ( -11.099 -0.243 0.954) 11.142 18.954 ( -3.232 -23.079 -7.682) 24.538 24.011 ( 1.315 1.764 2.392) 3.250 24.494 ( -1.934 -2.958 -3.166) 4.745 ======================= Grid point 442 (69/160) ======================= q-point: ( 0.26 0.16 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.119 ( 15.502 18.477 10.775) 26.416 5.827 ( 12.585 22.662 0.191) 25.923 6.907 ( 3.637 32.742 -8.178) 33.944 6.921 ( -0.447 8.977 -2.424) 9.309 7.972 ( 4.414 18.542 6.653) 20.188 7.991 ( -7.282 0.875 0.817) 7.380 8.892 ( 14.082 12.844 -7.906) 20.634 9.020 ( 7.893 9.842 -6.122) 14.023 9.372 ( 5.979 19.878 5.729) 21.534 9.685 ( 5.830 13.607 5.402) 15.758 10.124 ( 30.676 8.936 -0.959) 31.966 10.545 ( 4.947 -4.399 -2.641) 7.128 10.852 ( -4.258 17.867 4.864) 19.001 11.691 ( 9.871 8.865 1.121) 13.315 11.868 ( 12.689 -9.746 -11.561) 19.740 12.077 ( 7.056 9.366 -1.859) 11.872 13.381 ( -13.188 -10.261 8.869) 18.917 14.509 ( 2.172 -7.606 -7.442) 10.860 16.016 ( -1.904 4.519 5.022) 7.019 16.169 ( -2.216 2.979 1.686) 4.077 17.910 ( -22.084 -5.147 2.649) 22.830 18.735 ( 4.139 -24.777 -6.363) 25.913 24.050 ( 1.411 1.571 1.917) 2.852 24.433 ( -1.901 -2.860 -2.476) 4.234 ======================= Grid point 443 (70/160) ======================= q-point: ( 0.32 0.16 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.526 ( 13.538 14.363 7.617) 21.156 6.188 ( 8.453 15.387 1.092) 17.590 6.894 ( -3.368 -0.036 -1.180) 3.569 7.289 ( -3.715 36.381 -9.662) 37.825 7.864 ( -9.506 5.114 6.778) 12.746 8.200 ( 1.886 16.704 4.216) 17.331 9.154 ( -1.395 14.246 -5.980) 15.514 9.260 ( 8.893 15.298 -9.550) 20.108 9.534 ( -0.690 11.432 4.470) 12.294 9.894 ( 5.021 11.790 9.286) 15.826 10.515 ( 1.305 -8.726 -6.860) 11.176 10.750 ( 24.300 6.149 -2.271) 25.168 11.044 ( 9.648 12.666 5.387) 16.809 11.871 ( 4.519 2.526 -2.344) 5.683 12.061 ( 18.798 -5.062 -9.458) 21.644 12.265 ( 6.562 4.508 -2.517) 8.350 13.123 ( -9.242 -3.007 13.015) 16.244 14.473 ( 3.289 -9.222 -8.314) 12.845 16.029 ( -2.809 6.760 4.314) 8.497 16.152 ( -3.346 3.480 1.526) 5.063 17.452 ( -22.440 -8.551 5.998) 24.752 18.584 ( 5.945 -24.218 -6.633) 25.804 24.088 ( 1.312 1.345 1.457) 2.377 24.376 ( -1.547 -2.662 -1.856) 3.595 ======================= Grid point 444 (71/160) ======================= q-point: ( 0.37 0.16 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.839 ( 8.760 9.840 4.988) 14.087 6.414 ( 3.996 9.353 4.181) 10.996 6.815 ( -3.505 -3.185 -3.033) 5.624 7.457 ( -10.826 23.476 -8.968) 27.363 7.818 ( -10.227 20.037 10.324) 24.752 8.354 ( -1.777 14.222 2.266) 14.511 9.253 ( -7.377 22.451 -2.502) 23.764 9.417 ( -8.290 15.695 -6.013) 18.741 9.723 ( 11.509 7.956 -5.495) 15.031 10.043 ( 0.215 8.332 7.843) 11.444 10.396 ( -3.486 -9.429 -6.371) 11.902 11.005 ( 6.659 -0.523 1.607) 6.870 11.397 ( 19.651 -1.023 2.103) 19.790 11.923 ( 0.327 1.001 -4.219) 4.348 12.320 ( 14.244 -4.051 -6.124) 16.025 12.386 ( 6.914 -2.063 -3.288) 7.929 13.011 ( -3.815 1.725 14.421) 15.017 14.443 ( 4.261 -9.769 -9.084) 14.004 16.059 ( -3.166 9.626 2.720) 10.493 16.128 ( -4.009 4.552 1.244) 6.192 17.043 ( -14.660 -8.130 9.996) 19.518 18.470 ( 7.920 -22.598 -7.130) 24.985 24.118 ( 0.832 1.046 1.079) 1.718 24.332 ( -0.688 -2.270 -1.385) 2.747 ======================= Grid point 445 (72/160) ======================= q-point: ( 0.42 0.16 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.971 ( -1.900 3.290 3.822) 5.389 6.497 ( -2.567 4.446 6.753) 8.483 6.757 ( 1.273 -2.206 -4.734) 5.375 7.461 ( -10.157 17.593 -6.222) 21.246 7.845 ( -15.149 26.239 9.026) 31.614 8.410 ( -6.567 11.375 1.427) 13.212 9.321 ( -14.607 25.300 1.346) 29.245 9.395 ( -8.654 14.989 -8.193) 19.149 9.927 ( -2.282 3.952 1.136) 4.702 10.050 ( 3.826 -6.627 -13.153) 15.217 10.295 ( -1.986 3.440 4.632) 6.102 11.053 ( 3.125 -5.412 2.804) 6.849 11.569 ( 6.859 -11.880 1.762) 13.830 11.925 ( -0.751 1.301 -4.414) 4.663 12.403 ( 3.883 -6.725 -0.998) 7.829 12.458 ( 4.363 -7.557 -7.482) 11.495 12.995 ( -1.301 2.254 14.134) 14.372 14.431 ( 5.418 -9.384 -9.489) 14.403 16.095 ( -6.858 11.879 1.309) 13.778 16.106 ( -2.394 4.147 1.053) 4.903 16.866 ( 1.045 -1.810 12.487) 12.661 18.424 ( 11.650 -20.178 -7.338) 24.428 24.132 ( -0.267 0.462 0.919) 1.062 24.314 ( 0.852 -1.476 -1.194) 2.080 ======================= Grid point 461 (73/160) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.077 ( 12.148 21.041 10.895) 26.627 5.833 ( 12.951 22.432 -0.359) 25.905 6.947 ( 0.987 1.710 -1.205) 2.313 7.077 ( 18.543 32.117 -11.851) 38.933 8.034 ( 9.225 15.978 8.183) 20.183 8.064 ( -0.953 -1.651 0.300) 1.930 8.868 ( 9.570 16.576 -1.478) 19.197 8.908 ( 8.750 15.155 -2.063) 17.621 9.572 ( 7.984 13.829 -5.303) 16.825 9.616 ( 20.384 35.306 -1.681) 40.802 9.871 ( 1.867 3.234 8.761) 9.523 10.473 ( -0.058 -0.100 -1.716) 1.719 11.035 ( 6.620 11.465 2.127) 13.409 11.651 ( 6.204 10.746 1.732) 12.528 11.653 ( -3.314 -5.741 -8.158) 10.511 12.063 ( 5.880 10.185 -1.023) 11.805 13.453 ( -7.553 -13.083 5.680) 16.139 14.446 ( -2.960 -5.127 -7.822) 9.810 16.055 ( 1.564 2.709 5.779) 6.572 16.203 ( 0.694 1.202 2.225) 2.622 18.154 ( -5.320 -9.214 -0.439) 10.649 18.497 ( -12.517 -21.680 -4.457) 25.427 24.046 ( 1.055 1.827 1.947) 2.871 24.435 ( -1.771 -3.068 -2.517) 4.345 ======================= Grid point 462 (74/160) ======================= q-point: ( 0.26 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.464 ( 11.669 16.888 7.739) 21.937 6.198 ( 8.574 15.585 0.302) 17.790 6.936 ( -2.387 -1.826 -0.826) 3.117 7.621 ( 6.735 32.786 -14.858) 36.620 8.019 ( -2.736 1.933 4.410) 5.538 8.303 ( 4.553 15.769 7.806) 18.175 9.176 ( 8.052 16.866 -3.259) 18.971 9.267 ( 14.045 15.562 -0.455) 20.967 9.738 ( -4.222 17.547 1.004) 18.076 9.957 ( 2.361 13.974 4.129) 14.761 10.308 ( 26.435 8.477 -3.872) 28.030 10.452 ( 2.768 -3.887 -2.087) 5.208 11.209 ( -6.599 17.614 1.907) 18.906 11.657 ( 16.014 -10.717 -5.907) 20.154 11.829 ( 5.386 5.182 1.347) 7.595 12.210 ( 3.705 2.950 -1.498) 4.967 13.253 ( -6.891 -2.516 6.041) 9.503 14.352 ( -0.305 -8.423 -8.666) 12.089 16.109 ( 0.427 5.172 5.704) 7.711 16.213 ( -0.843 1.572 2.530) 3.095 17.793 ( -25.485 -6.595 0.760) 26.335 18.218 ( 6.265 -27.896 -3.642) 28.821 24.081 ( 1.139 1.622 1.483) 2.476 24.376 ( -1.680 -2.921 -1.894) 3.866 ======================= Grid point 463 (75/160) ======================= q-point: ( 0.32 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.793 ( 9.649 13.069 4.816) 16.944 6.434 ( 4.868 10.017 3.594) 11.703 6.840 ( -4.275 -5.395 -2.288) 7.253 7.806 ( -9.853 14.015 -5.152) 17.889 8.160 ( 3.074 24.054 -2.914) 24.424 8.490 ( -0.729 15.101 5.033) 15.934 9.460 ( 5.282 17.101 -4.520) 18.460 9.624 ( 6.258 20.227 -2.148) 21.281 9.818 ( -6.304 18.332 2.739) 19.578 10.127 ( 0.891 10.679 3.892) 11.401 10.344 ( -0.123 -6.923 -4.552) 8.286 10.815 ( 19.085 -0.109 -1.155) 19.120 11.204 ( -1.857 3.596 4.659) 6.172 11.862 ( 8.512 -3.616 -5.256) 10.638 11.979 ( 15.375 -3.405 0.288) 15.750 12.261 ( 3.717 -4.025 -0.717) 5.526 13.165 ( -6.518 6.680 4.945) 10.562 14.277 ( 2.668 -10.806 -9.162) 14.416 16.169 ( -1.076 6.685 3.767) 7.749 16.221 ( -0.489 4.658 3.402) 5.789 17.291 ( -23.698 -7.691 4.250) 25.275 18.084 ( 8.947 -26.640 -4.406) 28.446 24.115 ( 1.005 1.454 1.043) 2.052 24.324 ( -1.198 -2.696 -1.349) 3.244 ======================= Grid point 464 (76/160) ======================= q-point: ( 0.37 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.017 ( 3.108 8.566 2.674) 9.497 6.561 ( 0.974 5.795 7.868) 9.820 6.718 ( -1.927 -6.346 -4.040) 7.765 7.756 ( -9.442 12.609 -1.448) 15.818 8.406 ( -8.231 31.456 -3.304) 32.683 8.558 ( -4.238 7.795 0.259) 8.876 9.657 ( -2.584 16.679 -5.626) 17.791 9.814 ( -10.784 24.527 -1.360) 26.827 9.922 ( 2.188 12.608 -1.323) 12.864 10.092 ( -7.696 -1.411 -4.687) 9.121 10.374 ( 0.611 6.490 7.524) 9.955 10.938 ( 3.067 -5.756 3.613) 7.455 11.285 ( 11.569 -10.228 3.137) 15.757 11.893 ( 2.363 -4.126 -3.794) 6.082 12.191 ( 14.011 -10.018 -1.856) 17.323 12.270 ( 4.069 -7.717 -0.522) 8.740 13.143 ( -6.559 10.634 3.843) 13.072 14.235 ( 5.344 -11.528 -9.586) 15.916 16.182 ( -2.072 3.458 2.295) 4.639 16.307 ( -2.051 13.205 1.940) 13.504 16.907 ( -11.571 -5.523 8.716) 15.503 18.006 ( 11.696 -24.575 -4.907) 27.656 24.140 ( 0.241 1.150 0.725) 1.381 24.288 ( 0.036 -2.202 -0.981) 2.410 ======================= Grid point 481 (77/160) ======================= q-point: ( 0.26 0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.774 ( 8.602 14.898 4.759) 17.849 6.442 ( 5.620 9.735 3.129) 11.668 6.850 ( -3.796 -6.574 -1.808) 7.804 8.030 ( 0.651 1.128 4.590) 4.771 8.142 ( 10.510 18.204 -17.346) 27.253 8.631 ( 10.288 17.819 5.279) 21.242 9.514 ( 9.641 16.699 1.841) 19.370 9.620 ( 11.426 19.790 1.499) 22.901 10.047 ( 7.839 13.577 -1.181) 15.721 10.212 ( 6.624 11.473 3.730) 13.763 10.282 ( -3.528 -6.111 -5.709) 9.077 10.556 ( 5.686 9.849 0.065) 11.372 11.395 ( -4.274 -7.403 0.642) 8.572 11.571 ( 5.798 10.043 -1.031) 11.642 11.890 ( 0.728 1.260 1.434) 2.043 12.206 ( -1.306 -2.262 -0.649) 2.692 13.269 ( 1.875 3.248 1.823) 4.169 14.190 ( -4.561 -7.900 -9.164) 12.930 16.226 ( 4.063 7.037 5.575) 9.854 16.232 ( 0.289 0.501 3.007) 3.062 17.657 ( -8.572 -14.846 -1.061) 17.176 17.678 ( -11.008 -19.067 -0.447) 22.021 24.113 ( 0.961 1.665 1.031) 2.182 24.321 ( -1.578 -2.733 -1.337) 3.427 ======================= Grid point 482 (78/160) ======================= q-point: ( 0.32 0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.036 ( 6.415 12.024 2.012) 13.776 6.580 ( 2.321 4.542 5.207) 7.289 6.703 ( -4.230 -7.651 -0.297) 8.748 8.022 ( -6.906 10.234 0.725) 12.367 8.415 ( 9.778 2.855 -8.172) 13.059 8.925 ( -2.223 24.865 -8.118) 26.251 9.794 ( 3.011 16.363 0.802) 16.657 9.978 ( 9.282 14.818 5.235) 18.252 10.175 ( -4.361 3.313 -3.763) 6.644 10.241 ( -5.329 18.729 -0.864) 19.492 10.405 ( 2.737 10.110 4.539) 11.415 10.737 ( 14.268 -7.721 2.194) 16.371 11.186 ( -10.096 -5.093 4.129) 12.038 11.743 ( 9.215 -8.000 -4.857) 13.134 11.913 ( 5.086 -3.532 3.339) 7.035 12.159 ( 0.793 -5.336 -0.267) 5.401 13.342 ( -2.145 10.669 -1.602) 11.000 14.057 ( 0.573 -11.602 -9.266) 14.859 16.234 ( -0.921 1.475 3.247) 3.683 16.398 ( 5.223 12.292 4.075) 13.963 17.163 ( -23.911 -5.233 2.713) 24.627 17.567 ( 10.683 -25.976 -1.776) 28.143 24.145 ( 0.774 1.652 0.605) 1.922 24.272 ( -0.958 -2.541 -0.850) 2.846 ======================= Grid point 483 (79/160) ======================= q-point: ( 0.37 0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.171 ( -4.079 7.065 0.551) 8.177 6.584 ( 3.765 -6.520 -4.311) 8.676 6.645 ( -1.528 2.647 11.421) 11.823 8.012 ( -7.717 13.367 -1.016) 15.468 8.517 ( 3.337 -5.780 -3.527) 7.549 9.023 ( -13.465 23.321 -15.439) 31.041 9.895 ( -5.228 9.055 -0.905) 10.495 10.157 ( -6.941 12.023 6.081) 15.156 10.172 ( -6.651 11.519 -3.208) 13.683 10.262 ( -7.673 13.290 1.176) 15.391 10.484 ( -1.283 2.222 6.875) 7.338 10.855 ( -0.027 0.047 3.869) 3.869 11.031 ( 7.676 -13.296 3.802) 15.816 11.760 ( 5.775 -10.002 -5.806) 12.927 11.959 ( 6.277 -10.873 3.579) 13.055 12.138 ( 3.123 -5.408 -0.315) 6.253 13.380 ( -7.328 12.692 -2.956) 14.951 14.002 ( 6.925 -11.994 -9.257) 16.658 16.233 ( -1.041 1.803 3.284) 3.888 16.578 ( -7.222 12.509 0.157) 14.445 16.855 ( -1.282 2.221 7.381) 7.814 17.529 ( 13.846 -23.982 -2.113) 27.773 24.163 ( -0.693 1.200 0.376) 1.435 24.248 ( 1.043 -1.807 -0.601) 2.171 ======================= Grid point 502 (80/160) ======================= q-point: ( 0.32 0.32 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.258 ( 5.903 10.225 -0.624) 11.823 6.500 ( -5.190 -8.989 -3.460) 10.941 6.672 ( 0.841 1.456 12.227) 12.342 8.206 ( 4.406 7.632 -1.038) 8.874 8.393 ( -2.030 -3.516 -4.405) 5.990 9.255 ( 4.439 7.688 -25.913) 27.392 10.098 ( 7.072 12.249 4.461) 14.831 10.151 ( 5.112 8.855 11.814) 15.624 10.337 ( 5.379 9.317 -0.068) 10.759 10.458 ( 0.896 1.552 -0.168) 1.800 10.459 ( -7.446 -12.898 8.173) 16.988 10.748 ( 9.112 15.782 2.377) 18.378 11.026 ( -6.369 -11.031 3.293) 13.156 11.590 ( -3.350 -5.802 -6.719) 9.488 11.853 ( -1.168 -2.023 4.715) 5.262 12.081 ( -1.305 -2.260 -0.120) 2.612 13.555 ( 5.887 10.197 -5.703) 13.083 13.836 ( -5.984 -10.365 -8.480) 14.668 16.251 ( 0.219 0.379 3.729) 3.754 16.684 ( 9.675 16.758 1.887) 19.442 17.094 ( -7.590 -13.146 0.420) 15.186 17.094 ( -6.074 -10.521 2.880) 12.485 24.179 ( 0.998 1.729 0.164) 2.004 24.227 ( -1.185 -2.053 -0.379) 2.400 ======================= Grid point 758 (81/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -0.000 0.000 38.413) 38.413 1.513 ( 0.000 -0.000 38.413) 38.413 3.248 ( 0.000 0.000 81.733) 81.733 3.404 ( -0.000 0.000 -26.087) 26.087 3.404 ( 0.000 -0.000 -26.087) 26.087 6.312 ( 0.000 -0.000 22.651) 22.651 6.312 ( 0.000 -0.000 22.651) 22.651 7.019 ( 0.000 0.000 -44.608) 44.608 7.735 ( 0.000 0.000 -23.229) 23.229 7.735 ( -0.000 0.000 -23.229) 23.229 9.978 ( 0.000 0.000 11.504) 11.504 9.978 ( -0.000 0.000 11.504) 11.504 10.458 ( -0.000 0.000 -4.590) 4.590 10.458 ( -0.000 0.000 -4.590) 4.590 14.104 ( 0.000 -0.000 2.033) 2.033 14.373 ( -0.000 -0.000 -6.464) 6.464 15.476 ( 0.000 0.000 9.824) 9.824 15.807 ( 0.000 0.000 0.158) 0.158 15.807 ( 0.000 0.000 0.158) 0.158 15.814 ( 0.000 0.000 -0.041) 0.041 15.814 ( 0.000 0.000 -0.041) 0.041 16.019 ( 0.000 0.000 -7.060) 7.060 23.992 ( 0.000 0.000 8.674) 8.674 24.619 ( 0.000 0.000 -9.947) 9.947 ======================= Grid point 759 (82/160) ======================= q-point: ( 0.05 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 19.397 11.199 32.794) 39.713 2.097 ( 42.588 24.588 28.436) 56.806 3.376 ( 12.370 7.142 76.229) 77.556 3.490 ( 7.522 4.343 -24.811) 26.287 3.716 ( 26.475 15.285 -24.618) 39.250 6.358 ( 4.120 2.379 22.263) 22.766 6.400 ( 7.367 4.253 18.735) 20.576 7.061 ( 3.986 2.302 -40.030) 40.294 7.769 ( 3.010 1.738 -23.196) 23.455 7.826 ( 7.579 4.376 -21.987) 23.665 9.850 ( -8.804 -5.083 19.360) 21.867 9.972 ( -0.502 -0.290 11.760) 11.774 10.468 ( 0.831 0.480 -4.842) 4.936 10.472 ( 1.226 0.708 -5.209) 5.398 13.368 ( -39.299 -22.689 26.268) 52.432 14.192 ( -18.399 -10.623 -10.312) 23.616 14.976 ( -18.881 -10.901 10.551) 24.221 15.508 ( -8.291 -4.787 -7.606) 12.227 15.812 ( 0.653 0.377 0.400) 0.853 15.835 ( 1.538 0.888 -0.288) 1.799 16.454 ( 33.673 19.441 4.368) 39.127 17.311 ( 65.691 37.927 -39.816) 85.669 23.992 ( 0.046 0.027 8.499) 8.499 24.608 ( -0.880 -0.508 -9.816) 9.869 ======================= Grid point 760 (83/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 28.823 16.641 23.831) 40.935 3.019 ( 32.801 18.938 36.807) 52.814 3.735 ( 13.991 8.078 -21.514) 26.905 3.931 ( 40.385 23.316 47.553) 66.602 4.503 ( 41.049 23.700 -23.044) 52.705 6.493 ( 7.754 4.476 21.141) 22.958 6.607 ( 10.356 5.979 4.854) 12.906 7.220 ( 10.649 6.148 -23.939) 26.912 7.867 ( 5.505 3.178 -23.081) 23.941 8.035 ( 9.843 5.683 -16.902) 20.368 9.725 ( 0.096 0.055 23.594) 23.595 9.958 ( -0.658 -0.380 12.481) 12.504 10.496 ( 1.632 0.942 -5.515) 5.828 10.519 ( 3.163 1.826 -6.529) 7.481 12.702 ( -21.564 -12.450 23.353) 34.137 13.580 ( -31.939 -18.440 -8.705) 37.893 14.755 ( -4.033 -2.328 8.897) 10.042 15.305 ( -10.478 -6.050 -7.950) 14.477 15.835 ( 1.311 0.757 0.673) 1.656 15.877 ( 2.085 1.204 -0.569) 2.473 17.166 ( 28.819 16.639 7.185) 34.044 18.493 ( 38.084 21.988 -50.517) 66.976 23.995 ( 0.236 0.136 8.012) 8.016 24.582 ( -1.411 -0.814 -9.500) 9.638 ======================= Grid point 761 (84/160) ======================= q-point: ( 0.16 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( 32.036 18.496 17.095) 40.751 3.594 ( 22.043 12.726 46.372) 52.898 4.106 ( 18.723 10.810 -17.336) 27.712 5.085 ( 57.171 33.008 19.764) 68.910 5.441 ( 39.166 22.612 -23.923) 51.162 6.700 ( 10.488 6.055 19.403) 22.872 6.883 ( 16.073 9.280 -9.369) 20.791 7.533 ( 16.336 9.431 -5.168) 19.558 8.010 ( 7.079 4.087 -22.830) 24.249 8.230 ( 7.364 4.252 -7.993) 11.671 9.896 ( 14.674 8.472 15.461) 22.937 9.945 ( -0.380 -0.219 13.554) 13.561 10.540 ( 2.324 1.342 -6.407) 6.947 10.624 ( 6.480 3.741 -7.333) 10.477 12.264 ( -20.554 -11.867 14.817) 27.979 12.901 ( -25.926 -14.968 -6.097) 30.551 14.701 ( -1.679 -0.969 5.374) 5.713 15.037 ( -12.930 -7.465 -5.000) 15.745 15.865 ( 1.138 0.657 0.940) 1.616 15.924 ( 1.980 1.143 -0.827) 2.431 17.725 ( 20.565 11.873 9.073) 25.420 19.075 ( 15.570 8.989 -40.517) 44.327 24.004 ( 0.599 0.346 7.302) 7.334 24.547 ( -1.686 -0.974 -8.941) 9.151 ======================= Grid point 762 (85/160) ======================= q-point: ( 0.21 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( 32.283 18.639 12.417) 39.291 4.085 ( 21.996 12.699 40.755) 48.021 4.561 ( 21.390 12.349 -13.264) 28.035 6.093 ( 19.598 11.315 -25.103) 33.797 6.392 ( 55.357 31.961 8.516) 64.486 6.956 ( 12.038 6.950 17.226) 22.135 7.419 ( 29.909 17.268 -15.129) 37.704 7.926 ( 19.452 11.231 5.724) 23.180 8.176 ( 7.499 4.329 -22.337) 23.956 8.396 ( 8.959 5.173 -0.995) 10.393 9.943 ( 0.150 0.087 14.822) 14.823 10.334 ( 22.857 13.196 7.095) 27.330 10.598 ( 2.788 1.609 -7.298) 7.976 10.820 ( 10.936 6.314 -6.534) 14.218 11.709 ( -27.554 -15.908 13.305) 34.486 12.462 ( -14.432 -8.332 -10.114) 19.493 14.617 ( -8.840 -5.104 3.961) 10.950 14.781 ( -6.797 -3.924 -1.669) 8.024 15.881 ( 0.193 0.111 1.292) 1.311 15.962 ( 1.348 0.778 -1.138) 1.928 18.077 ( 10.507 6.066 10.159) 15.824 19.272 ( 3.364 1.942 -29.112) 29.370 24.022 ( 1.016 0.587 6.455) 6.561 24.507 ( -1.845 -1.065 -8.043) 8.321 ======================= Grid point 763 (86/160) ======================= q-point: ( 0.26 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.436 ( 30.641 17.691 8.979) 36.503 4.581 ( 21.851 12.616 33.288) 41.770 5.052 ( 21.859 12.620 -9.791) 27.073 6.372 ( 8.042 4.643 -22.679) 24.506 7.232 ( 12.266 7.082 14.811) 20.493 7.524 ( 41.949 24.219 -0.116) 48.438 7.880 ( 8.338 4.814 -10.466) 14.221 8.338 ( 6.741 3.892 -21.443) 22.812 8.526 ( 29.603 17.092 5.501) 34.623 8.793 ( 32.594 18.818 1.708) 37.675 9.952 ( 0.664 0.383 16.085) 16.103 10.663 ( 2.916 1.683 -8.033) 8.710 10.843 ( 15.049 8.688 5.371) 18.188 11.017 ( -2.803 -1.618 5.955) 6.777 11.231 ( 2.174 1.255 3.169) 4.043 12.176 ( -11.987 -6.920 -18.954) 23.469 14.329 ( -14.044 -8.108 9.242) 18.666 14.715 ( -1.440 -0.831 -3.386) 3.772 15.871 ( -1.021 -0.589 1.767) 2.124 15.982 ( 0.379 0.219 -1.535) 1.596 18.194 ( 0.032 0.019 11.658) 11.658 19.275 ( -2.378 -1.373 -21.636) 21.810 24.049 ( 1.320 0.762 5.533) 5.739 24.464 ( -1.925 -1.111 -6.871) 7.222 ======================= Grid point 764 (87/160) ======================= q-point: ( 0.32 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.057 ( 20.231 11.680 26.561) 35.372 5.091 ( 27.299 15.761 6.231) 32.132 5.528 ( 20.113 11.612 -7.009) 24.259 6.518 ( 5.444 3.143 -17.057) 18.179 7.498 ( 11.176 6.452 12.365) 17.872 7.898 ( -2.135 -1.233 -2.862) 3.777 8.231 ( 19.988 11.540 -11.838) 25.939 8.472 ( 5.023 2.900 -19.990) 20.814 9.187 ( 28.152 16.254 12.094) 34.684 9.728 ( 43.935 25.366 -2.380) 50.787 9.971 ( 0.973 0.562 17.101) 17.138 10.561 ( -12.468 -7.199 15.141) 20.893 10.727 ( 2.672 1.543 -8.556) 9.095 11.393 ( 18.243 10.533 2.352) 21.196 11.565 ( 18.107 10.454 -2.587) 21.067 11.925 ( -8.728 -5.039 -26.860) 28.688 14.030 ( -12.194 -7.040 15.892) 21.232 14.681 ( -1.738 -1.003 -6.444) 6.750 15.837 ( -1.932 -1.115 2.287) 3.194 15.979 ( -0.600 -0.346 -1.951) 2.070 18.094 ( -8.439 -4.872 14.499) 17.469 19.186 ( -5.239 -3.025 -18.412) 19.381 24.080 ( 1.413 0.816 4.582) 4.864 24.421 ( -1.906 -1.100 -5.587) 6.005 ======================= Grid point 765 (88/160) ======================= q-point: ( 0.37 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.480 ( 17.173 9.915 20.576) 28.576 5.650 ( 22.109 12.765 3.893) 25.824 5.940 ( 16.240 9.376 -4.846) 19.369 6.624 ( 3.996 2.307 -11.684) 12.563 7.726 ( 8.905 5.141 10.114) 14.423 7.807 ( -4.961 -2.864 3.567) 6.748 8.561 ( 2.860 1.651 -17.979) 18.280 8.562 ( 10.190 5.883 -14.688) 18.820 9.538 ( 2.896 1.672 15.577) 15.932 9.994 ( 1.003 0.579 17.678) 17.716 10.514 ( 15.151 8.747 -7.841) 19.171 10.722 ( 33.323 19.239 7.679) 39.237 10.781 ( 2.109 1.217 -8.883) 9.211 11.534 ( -2.740 -1.582 -13.551) 13.915 11.951 ( 16.153 9.326 -3.353) 18.951 12.017 ( 15.449 8.920 -9.138) 20.043 13.792 ( -8.772 -5.065 20.277) 22.666 14.635 ( -2.399 -1.385 -9.221) 9.629 15.789 ( -2.175 -1.256 2.732) 3.711 15.958 ( -1.197 -0.691 -2.291) 2.676 17.847 ( -12.677 -7.319 18.289) 23.426 19.048 ( -6.823 -3.939 -17.986) 19.636 24.111 ( 1.300 0.751 3.661) 3.957 24.380 ( -1.733 -1.000 -4.362) 4.799 ======================= Grid point 766 (89/160) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.817 ( 12.488 7.210 15.093) 20.874 6.069 ( 14.830 8.562 1.948) 17.235 6.244 ( 10.492 6.058 -3.254) 12.545 6.690 ( 1.740 1.005 -8.394) 8.631 7.706 ( -3.551 -2.050 11.816) 12.508 7.891 ( 5.717 3.301 8.331) 10.629 8.603 ( 1.030 0.595 -15.813) 15.858 8.670 ( -0.579 -0.334 -3.795) 3.854 9.608 ( 7.668 4.427 -1.571) 8.992 10.014 ( 0.750 0.433 17.830) 17.851 10.591 ( -8.283 -4.782 -20.505) 22.626 10.820 ( 1.333 0.770 -9.064) 9.194 11.428 ( 25.155 14.523 2.085) 29.121 11.625 ( 11.224 6.480 -3.073) 13.320 12.286 ( 12.812 7.397 -1.142) 14.838 12.352 ( 12.888 7.441 -4.352) 15.505 13.640 ( -4.686 -2.706 21.065) 21.749 14.578 ( -2.522 -1.456 -11.348) 11.715 15.745 ( -1.676 -0.967 3.025) 3.591 15.930 ( -1.145 -0.661 -2.501) 2.829 17.563 ( -11.596 -6.695 21.985) 25.742 18.896 ( -6.237 -3.601 -18.690) 20.029 24.137 ( 0.987 0.570 2.866) 3.085 24.345 ( -1.312 -0.758 -3.356) 3.682 ======================= Grid point 767 (90/160) ======================= q-point: ( 0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.021 ( 4.978 2.874 11.134) 12.530 6.301 ( 5.392 3.113 0.680) 6.263 6.403 ( 3.527 2.036 -2.303) 4.679 6.706 ( -0.025 -0.014 -7.219) 7.219 7.657 ( -0.930 -0.537 19.149) 19.179 7.979 ( 1.968 1.136 7.323) 7.667 8.612 ( -2.440 -1.409 4.663) 5.448 8.615 ( 0.151 0.087 -14.330) 14.331 9.890 ( 15.885 9.171 -17.138) 25.103 10.026 ( 0.278 0.161 17.792) 17.795 10.279 ( -16.813 -9.707 -25.482) 32.035 10.840 ( 0.454 0.262 -9.143) 9.158 11.775 ( 6.518 3.763 5.198) 9.147 11.889 ( 8.197 4.732 0.074) 9.465 12.497 ( 5.289 3.054 -0.275) 6.114 12.558 ( 4.792 2.767 -2.368) 6.019 13.578 ( -1.132 -0.654 19.398) 19.442 14.532 ( -1.214 -0.701 -12.556) 12.634 15.718 ( -0.625 -0.361 3.159) 3.240 15.911 ( -0.469 -0.271 -2.590) 2.646 17.369 ( -4.829 -2.788 24.413) 25.042 18.791 ( -2.603 -1.503 -19.368) 19.600 24.153 ( 0.396 0.229 2.367) 2.411 24.323 ( -0.519 -0.300 -2.752) 2.817 ======================= Grid point 778 (91/160) ======================= q-point: ( 0.05 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 16.477 28.538 25.845) 41.879 2.781 ( 21.462 37.174 30.008) 52.374 3.664 ( 9.890 17.131 12.385) 23.338 3.741 ( 16.921 29.308 23.925) 41.445 4.238 ( 21.257 36.818 -22.541) 48.120 6.456 ( 4.327 7.495 21.464) 23.143 6.540 ( 5.398 9.350 9.752) 14.549 7.159 ( 4.709 8.156 -29.563) 31.026 7.844 ( 3.328 5.765 -23.157) 24.095 7.969 ( 5.421 9.390 -18.742) 21.653 9.730 ( -2.438 -4.223 23.928) 24.420 9.965 ( -0.212 -0.367 12.253) 12.260 10.492 ( 1.192 2.064 -5.266) 5.781 10.497 ( 1.216 2.106 -6.143) 6.607 12.850 ( -13.903 -24.081 25.576) 37.780 13.763 ( -18.238 -31.588 -9.380) 37.662 14.776 ( -3.910 -6.773 9.733) 12.486 15.360 ( -5.833 -10.104 -8.465) 14.414 15.837 ( 0.931 1.612 0.676) 1.980 15.867 ( 1.576 2.729 -0.116) 3.154 16.993 ( 17.886 30.980 6.153) 36.298 18.235 ( 26.237 45.443 -50.925) 73.122 23.994 ( 0.095 0.164 8.169) 8.171 24.590 ( -0.752 -1.302 -9.602) 9.719 ======================= Grid point 779 (92/160) ======================= q-point: ( 0.11 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 22.563 30.909 18.769) 42.623 3.376 ( 19.135 17.895 40.957) 48.619 4.026 ( 12.043 20.916 -11.344) 26.668 4.649 ( 40.081 48.025 22.659) 66.531 5.071 ( 33.734 33.387 -21.876) 52.261 6.641 ( 6.850 10.555 19.809) 23.468 6.750 ( 9.772 8.733 -4.384) 13.819 7.387 ( 11.199 10.589 -11.941) 19.497 7.985 ( 4.624 8.871 -22.758) 24.859 8.154 ( 6.763 5.938 -11.431) 14.549 9.770 ( 7.243 5.417 18.791) 20.854 9.959 ( -0.408 0.433 12.990) 13.003 10.542 ( 1.236 4.178 -6.132) 7.522 10.571 ( 4.437 3.730 -6.723) 8.877 12.463 ( -14.126 -11.008 16.423) 24.299 13.086 ( -22.578 -30.707 -4.887) 38.426 14.695 ( -0.994 -3.392 5.867) 6.849 15.122 ( -9.106 -12.354 -6.842) 16.804 15.873 ( 0.640 2.794 1.360) 3.173 15.927 ( 1.445 3.777 -0.124) 4.046 17.562 ( 17.613 21.908 7.800) 29.172 18.909 ( 17.002 17.780 -44.762) 51.077 24.000 ( 0.344 0.384 7.577) 7.594 24.560 ( -1.215 -1.409 -9.176) 9.363 ======================= Grid point 780 (93/160) ======================= q-point: ( 0.16 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( 24.549 30.464 13.630) 41.430 3.857 ( 19.969 14.976 38.698) 46.050 4.469 ( 13.431 25.205 -10.244) 30.341 5.856 ( 37.472 37.494 -2.617) 53.073 5.896 ( 35.863 30.022 -10.120) 47.853 6.885 ( 8.387 12.883 17.802) 23.520 7.118 ( 23.041 15.285 -11.005) 29.759 7.713 ( 15.499 8.617 -0.158) 17.734 8.162 ( 4.594 11.048 -20.950) 24.126 8.309 ( 6.701 3.891 -4.233) 8.830 9.945 ( 0.465 1.124 13.227) 13.283 10.076 ( 16.904 8.036 9.492) 20.987 10.624 ( 1.970 8.102 -6.117) 10.341 10.728 ( 8.020 7.151 -6.652) 12.637 12.035 ( -26.184 -11.787 11.215) 30.827 12.532 ( -10.457 -21.523 -4.373) 24.325 14.645 ( -1.755 -4.659 2.598) 5.616 14.832 ( -8.987 -13.007 -3.335) 16.158 15.907 ( -0.401 3.522 1.948) 4.045 15.982 ( 0.166 4.444 -0.269) 4.456 17.984 ( 11.383 13.544 8.666) 19.701 19.196 ( 6.909 2.598 -33.004) 33.819 24.014 ( 0.718 0.649 6.808) 6.876 24.523 ( -1.490 -1.459 -8.437) 8.691 ======================= Grid point 781 (94/160) ======================= q-point: ( 0.21 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( 24.539 27.420 10.717) 38.326 4.351 ( 21.031 15.542 31.723) 41.111 4.956 ( 13.803 26.997 -8.211) 31.413 6.304 ( 9.161 10.542 -23.815) 27.608 7.073 ( 42.367 35.246 5.070) 55.344 7.169 ( 10.720 16.453 14.817) 24.600 7.735 ( 20.510 13.910 -14.429) 28.677 8.107 ( 25.148 8.429 1.483) 26.564 8.363 ( 7.467 13.120 -13.801) 20.454 8.521 ( 15.458 8.640 -0.628) 17.720 9.958 ( 0.020 1.629 14.319) 14.411 10.438 ( 17.237 -0.430 -0.129) 17.243 10.812 ( 7.724 17.547 -2.806) 19.376 10.970 ( 9.469 8.419 -4.568) 13.469 11.438 ( -25.936 -10.983 12.676) 30.887 12.242 ( -6.765 -13.203 -11.860) 18.993 14.435 ( -11.252 -12.729 4.765) 17.645 14.683 ( 0.748 -6.207 -2.881) 6.884 15.922 ( -2.165 3.932 2.403) 5.091 16.016 ( -1.273 4.381 -0.567) 4.598 18.196 ( 2.566 5.564 9.469) 11.279 19.244 ( 1.469 -5.148 -23.640) 24.238 24.036 ( 1.080 0.851 5.931) 6.089 24.482 ( -1.649 -1.496 -7.384) 7.712 ======================= Grid point 782 (95/160) ======================= q-point: ( 0.26 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( 21.835 15.556 20.438) 33.711 4.893 ( 21.706 23.122 13.155) 34.334 5.445 ( 12.740 26.736 -6.476) 30.316 6.490 ( 4.134 7.572 -18.970) 20.839 7.439 ( 7.874 14.009 13.251) 20.829 7.911 ( 4.455 6.250 -4.984) 9.151 8.013 ( 21.607 17.894 -7.101) 28.940 8.440 ( 5.735 7.007 -19.099) 21.137 8.849 ( 29.285 16.465 7.501) 34.423 9.190 ( 42.697 19.753 0.127) 47.045 9.982 ( 0.600 2.760 14.392) 14.667 10.619 ( 8.438 -3.270 -5.806) 10.752 10.796 ( -20.811 -6.353 14.179) 25.971 11.222 ( 16.990 16.121 0.921) 23.439 11.409 ( 13.379 13.390 -2.472) 19.089 12.004 ( -8.210 -9.833 -21.156) 24.732 14.118 ( -10.458 -13.058 11.660) 20.392 14.648 ( 1.418 -5.845 -5.794) 8.352 15.910 ( -4.001 4.157 2.748) 6.390 16.024 ( -2.488 3.787 -0.978) 4.635 18.181 ( -6.167 -1.734 11.520) 13.181 19.177 ( -0.845 -8.787 -18.565) 20.556 24.065 ( 1.296 0.915 4.996) 5.242 24.439 ( -1.702 -1.511 -6.142) 6.550 ======================= Grid point 783 (96/160) ======================= q-point: ( 0.32 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.271 ( 18.855 11.373 20.583) 30.142 5.467 ( 19.519 21.043 5.446) 29.215 5.892 ( 9.916 24.884 -5.160) 27.279 6.613 ( 2.387 6.473 -13.434) 15.102 7.689 ( 5.962 12.821 10.753) 17.764 7.880 ( -5.047 -0.173 0.967) 5.142 8.456 ( 12.139 11.799 -14.589) 22.347 8.568 ( 2.248 7.135 -17.878) 19.380 9.438 ( 15.828 8.790 14.858) 23.421 9.907 ( 13.691 0.175 14.200) 19.726 10.216 ( 29.073 16.604 -4.772) 33.819 10.575 ( 0.031 8.974 13.398) 16.126 10.701 ( 5.493 -2.961 -7.433) 9.705 11.589 ( 4.283 8.193 -2.607) 9.605 11.792 ( 13.573 11.831 -3.994) 18.443 11.854 ( 6.939 -0.423 -20.605) 21.746 13.845 ( -7.461 -11.448 17.785) 22.428 14.609 ( 0.892 -6.082 -8.599) 10.570 15.872 ( -5.181 4.297 2.966) 7.355 16.008 ( -3.257 3.083 -1.404) 4.700 17.980 ( -11.682 -6.984 15.098) 20.328 19.054 ( -2.372 -10.474 -17.118) 20.208 24.096 ( 1.318 0.842 4.054) 4.346 24.396 ( -1.617 -1.473 -4.879) 5.347 ======================= Grid point 784 (97/160) ======================= q-point: ( 0.37 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.658 ( 15.112 8.845 16.296) 23.921 5.940 ( 14.811 15.865 3.174) 21.935 6.250 ( 5.222 21.675 -4.225) 22.692 6.692 ( 0.629 4.067 -9.429) 10.288 7.777 ( -5.488 0.578 8.054) 9.763 7.891 ( 2.954 11.250 8.855) 14.618 8.621 ( -0.031 5.626 -13.767) 14.873 8.720 ( 2.432 10.029 -13.671) 17.128 9.536 ( 1.760 -0.935 9.477) 9.685 10.027 ( 1.802 3.643 16.848) 17.332 10.569 ( 2.200 -5.178 -13.417) 14.549 10.796 ( 8.353 3.664 -7.123) 11.573 11.101 ( 30.252 17.429 4.097) 35.153 11.588 ( -0.281 6.384 -11.348) 13.023 12.118 ( 15.507 7.292 -3.220) 17.435 12.179 ( 15.360 7.410 -4.330) 17.596 13.651 ( -3.629 -8.995 20.803) 22.953 14.560 ( 0.293 -6.029 -10.882) 12.444 15.825 ( -5.329 4.495 3.048) 7.609 15.979 ( -3.382 2.637 -1.752) 4.632 17.688 ( -12.467 -8.990 19.224) 24.613 18.902 ( -2.880 -10.860 -17.545) 20.834 24.125 ( 1.149 0.673 3.180) 3.448 24.357 ( -1.327 -1.334 -3.752) 4.197 ======================= Grid point 785 (98/160) ======================= q-point: ( 0.42 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.939 ( 9.285 5.421 12.074) 16.167 6.261 ( 7.545 10.644 2.253) 13.240 6.477 ( -0.929 17.242 -3.722) 17.664 6.710 ( -0.819 0.534 -7.645) 7.708 7.709 ( -4.094 2.539 16.166) 16.869 8.016 ( -0.222 9.235 7.263) 11.751 8.656 ( -2.207 6.408 -9.053) 11.309 8.750 ( -7.663 8.071 -4.150) 11.878 9.678 ( 13.978 2.631 -9.345) 17.019 10.066 ( -1.339 3.921 14.760) 15.331 10.388 ( -9.736 -12.458 -19.368) 25.002 10.904 ( -1.193 6.495 -9.974) 11.962 11.647 ( 16.909 7.894 2.081) 18.776 11.756 ( 9.798 5.215 -0.426) 11.108 12.398 ( 10.227 3.862 -1.095) 10.987 12.455 ( 10.516 2.944 -3.097) 11.351 13.549 ( 0.236 -6.402 20.296) 21.283 14.508 ( 0.531 -5.437 -12.461) 13.606 15.786 ( -4.533 4.910 3.026) 7.336 15.951 ( -2.803 2.642 -1.965) 4.324 17.427 ( -7.883 -7.198 22.674) 25.061 18.766 ( -0.805 -9.524 -18.400) 20.734 24.147 ( 0.738 0.402 2.503) 2.640 24.327 ( -0.717 -1.018 -2.921) 3.176 ======================= Grid point 786 (99/160) ======================= q-point: ( 0.47 0.05 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.050 ( -0.066 0.114 10.107) 10.107 6.382 ( -2.872 4.974 2.160) 6.136 6.552 ( -7.328 12.693 -3.674) 15.110 6.699 ( 0.230 -0.398 -7.149) 7.164 7.688 ( -2.181 3.778 20.012) 20.482 8.060 ( -4.031 6.982 6.672) 10.465 8.686 ( -5.200 9.007 4.517) 11.339 8.694 ( -4.598 7.964 -13.128) 16.029 9.948 ( 2.234 -3.870 -1.511) 4.717 10.019 ( 4.667 -8.084 -27.065) 28.629 10.161 ( -4.002 6.932 5.395) 9.652 10.921 ( -3.802 6.585 -10.274) 12.782 11.807 ( 0.150 -0.260 4.225) 4.236 11.898 ( 2.244 -3.887 0.134) 4.490 12.510 ( 1.030 -1.783 -0.615) 2.149 12.561 ( 1.450 -2.512 -1.872) 3.452 13.523 ( 2.765 -4.789 19.054) 19.840 14.484 ( 2.405 -4.166 -13.061) 13.919 15.771 ( -3.232 5.598 2.996) 7.124 15.940 ( -1.784 3.091 -2.034) 4.108 17.320 ( 1.254 -2.173 24.089) 24.219 18.710 ( 3.885 -6.729 -18.796) 20.339 24.155 ( 0.012 -0.021 2.231) 2.231 24.316 ( 0.270 -0.468 -2.600) 2.656 ======================= Grid point 799 (100/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 20.414 35.358 13.628) 43.042 3.750 ( 12.061 20.890 36.164) 43.471 4.499 ( 15.337 26.564 -6.887) 31.437 5.695 ( 33.034 57.217 10.573) 66.909 5.743 ( 19.166 33.196 -21.851) 44.122 6.892 ( 8.478 14.685 18.124) 24.819 6.984 ( 10.034 17.379 -8.705) 21.874 7.617 ( 7.315 12.670 -3.060) 14.947 8.193 ( 6.794 11.767 -21.506) 25.439 8.258 ( 2.925 5.067 -5.036) 7.719 9.944 ( 6.859 11.881 10.187) 17.087 9.969 ( 0.400 0.693 12.876) 12.901 10.662 ( 4.167 7.218 -6.057) 10.303 10.683 ( 5.329 9.229 -6.055) 12.257 12.272 ( -5.823 -10.086 7.881) 14.062 12.447 ( -18.828 -32.611 1.135) 37.673 14.631 ( -1.803 -3.123 1.664) 3.971 14.841 ( -9.233 -15.991 -4.664) 19.045 15.933 ( 1.823 3.157 2.707) 4.541 16.008 ( 2.367 4.099 0.524) 4.762 17.956 ( 10.116 17.522 7.384) 21.538 19.141 ( 3.477 6.022 -34.422) 35.117 24.011 ( 0.439 0.761 6.935) 6.991 24.528 ( -1.037 -1.796 -8.566) 8.813 ======================= Grid point 800 (101/160) ======================= q-point: ( 0.16 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( 18.836 32.805 12.010) 39.689 4.194 ( 17.922 20.380 28.017) 39.006 5.031 ( 13.797 31.279 -6.256) 34.755 6.256 ( 11.801 16.443 -22.631) 30.361 6.812 ( 35.795 49.161 4.816) 61.002 7.197 ( 8.322 19.308 15.638) 26.203 7.495 ( 25.228 23.411 -9.261) 35.641 7.872 ( 11.500 8.009 1.935) 14.147 8.359 ( 4.672 5.677 -3.580) 8.178 8.437 ( 7.586 12.391 -16.355) 21.877 9.981 ( -0.321 2.303 12.375) 12.592 10.202 ( 11.994 5.671 2.929) 13.586 10.837 ( 6.378 11.561 -3.892) 13.765 10.926 ( 8.891 14.134 -5.956) 17.728 11.770 ( -26.503 -16.477 8.553) 32.358 12.143 ( 0.174 -16.081 -2.035) 16.211 14.493 ( -11.313 -13.406 -0.076) 17.542 14.594 ( 0.534 -8.236 -2.828) 8.724 15.987 ( 0.069 4.283 3.765) 5.703 16.077 ( 0.462 4.809 0.819) 4.900 18.216 ( 4.384 9.500 6.612) 12.377 19.165 ( 0.141 -5.628 -24.456) 25.095 24.030 ( 0.773 0.978 6.151) 6.275 24.491 ( -1.317 -1.822 -7.645) 7.969 ======================= Grid point 801 (102/160) ======================= q-point: ( 0.21 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( 17.219 18.462 23.906) 34.768 4.802 ( 19.802 29.631 7.720) 36.466 5.559 ( 10.969 33.659 -6.145) 35.931 6.511 ( 4.678 10.864 -18.869) 22.270 7.481 ( 7.448 19.014 13.356) 24.400 7.823 ( 25.509 36.242 -2.117) 44.370 7.939 ( 4.774 7.540 -6.130) 10.827 8.312 ( 23.449 12.889 -6.420) 27.517 8.585 ( 16.723 10.591 0.495) 19.800 8.789 ( 22.784 17.940 -7.044) 29.843 10.004 ( -0.045 2.747 12.281) 12.585 10.424 ( 10.677 -0.265 -2.068) 10.879 11.030 ( -5.413 -1.935 3.673) 6.821 11.171 ( 3.849 15.614 -0.221) 16.083 11.383 ( 1.682 7.309 2.315) 7.850 11.989 ( -2.585 -11.740 -10.596) 16.024 14.156 ( -10.887 -15.290 5.862) 19.664 14.545 ( 1.937 -7.649 -6.128) 9.991 16.015 ( -2.229 5.076 4.266) 6.996 16.113 ( -1.878 5.106 0.760) 5.494 18.274 ( -4.339 2.038 6.836) 8.349 19.069 ( -0.078 -12.628 -17.604) 21.665 24.055 ( 1.043 1.052 5.271) 5.475 24.449 ( -1.473 -1.847 -6.495) 6.911 ======================= Grid point 802 (103/160) ======================= q-point: ( 0.26 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.094 ( 17.047 15.232 20.397) 30.637 5.385 ( 17.312 25.305 4.401) 30.975 6.046 ( 7.482 33.702 -6.292) 35.091 6.662 ( 1.634 9.565 -13.555) 16.670 7.760 ( 4.242 18.166 11.079) 21.696 7.970 ( -3.819 3.146 0.188) 4.951 8.388 ( 12.710 18.249 -11.013) 24.817 8.608 ( 3.971 10.219 -15.353) 18.866 9.179 ( 28.158 17.281 9.386) 34.346 9.523 ( 35.113 14.641 1.777) 38.084 10.045 ( 4.710 3.182 7.804) 9.655 10.553 ( 6.609 -3.787 -5.420) 9.349 10.775 ( -11.535 5.331 12.983) 18.167 11.505 ( 14.184 12.776 1.134) 19.123 11.670 ( 12.686 8.562 -7.439) 17.017 11.846 ( -3.757 -2.325 -15.330) 15.954 13.847 ( -8.315 -14.146 12.690) 20.744 14.503 ( 2.447 -8.568 -8.929) 12.615 16.011 ( -4.404 5.760 4.268) 8.414 16.114 ( -3.803 5.031 0.446) 6.322 18.118 ( -11.752 -4.904 9.427) 15.844 18.935 ( 0.700 -15.859 -14.816) 21.714 24.084 ( 1.174 0.975 4.343) 4.603 24.406 ( -1.491 -1.848 -5.257) 5.768 ======================= Grid point 803 (104/160) ======================= q-point: ( 0.32 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.501 ( 15.133 11.931 16.572) 25.416 5.871 ( 14.112 19.728 2.961) 24.436 6.455 ( 2.806 31.659 -6.703) 32.482 6.749 ( -0.890 6.651 -9.347) 11.506 7.900 ( -5.885 4.778 6.217) 9.804 7.991 ( 1.414 15.636 8.767) 17.982 8.706 ( 3.206 14.563 -13.428) 20.067 8.753 ( 4.859 11.835 -14.340) 19.218 9.541 ( 0.404 3.409 13.203) 13.642 9.956 ( 12.197 5.154 13.052) 18.593 10.425 ( 17.626 4.115 -9.406) 20.398 10.599 ( 11.262 -2.001 -6.518) 13.165 10.888 ( 11.568 16.809 10.009) 22.727 11.685 ( -2.616 2.620 -13.194) 13.704 11.897 ( 17.245 4.880 -5.409) 18.720 12.032 ( 11.232 10.741 -3.726) 15.981 13.610 ( -4.482 -12.000 18.005) 22.096 14.459 ( 2.453 -9.035 -11.093) 14.516 15.983 ( -5.901 6.599 3.873) 9.663 16.088 ( -4.800 4.788 0.013) 6.780 17.819 ( -14.108 -9.451 13.853) 21.915 18.785 ( 0.530 -16.975 -14.891) 22.587 24.112 ( 1.146 0.804 3.429) 3.704 24.364 ( -1.327 -1.784 -4.074) 4.641 ======================= Grid point 804 (105/160) ======================= q-point: ( 0.37 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.827 ( 11.471 8.243 12.578) 18.914 6.241 ( 9.709 14.690 3.189) 17.895 6.723 ( -3.234 15.242 -8.522) 17.759 6.775 ( -3.169 14.244 -5.541) 15.609 7.844 ( -6.538 6.541 13.339) 16.231 8.147 ( -0.912 14.273 6.504) 15.711 8.807 ( -3.591 13.910 -9.039) 16.973 8.960 ( -1.392 14.795 -11.360) 18.705 9.538 ( 2.799 1.939 2.331) 4.127 10.116 ( 0.745 3.674 11.286) 11.893 10.398 ( -3.670 -8.231 -11.362) 14.502 10.903 ( 9.697 5.818 -6.610) 13.099 11.368 ( 23.361 9.481 3.994) 25.526 11.724 ( 1.909 6.354 -8.180) 10.532 12.221 ( 15.263 3.090 -2.960) 15.851 12.295 ( 10.891 4.153 -3.020) 12.041 13.465 ( -0.335 -9.427 19.959) 22.075 14.412 ( 2.409 -8.934 -12.691) 15.706 15.947 ( -6.381 7.738 3.203) 10.528 16.052 ( -4.706 4.632 -0.374) 6.614 17.500 ( -11.113 -10.181 18.492) 23.855 18.634 ( 1.414 -16.437 -15.910) 22.919 24.137 ( 0.927 0.582 2.626) 2.845 24.328 ( -0.893 -1.595 -3.086) 3.586 ======================= Grid point 805 (106/160) ======================= q-point: ( 0.42 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.027 ( 4.630 3.543 9.453) 11.107 6.473 ( 2.315 10.794 5.088) 12.155 6.685 ( -2.675 -1.850 -7.978) 8.616 6.892 ( -9.370 22.818 -5.749) 25.328 7.812 ( -5.801 8.359 17.943) 20.627 8.231 ( -4.411 12.058 5.144) 13.832 8.884 ( -4.783 16.613 -6.938) 18.628 8.971 ( -12.102 14.601 -2.688) 19.154 9.727 ( 14.622 2.810 -12.583) 19.494 10.009 ( -8.445 -10.463 -9.445) 16.431 10.312 ( -4.611 6.067 7.594) 10.758 11.026 ( -0.001 5.096 -7.875) 9.380 11.726 ( 12.687 -0.596 1.180) 12.756 11.806 ( 1.646 0.690 -1.695) 2.461 12.429 ( 7.116 -0.841 -2.023) 7.446 12.464 ( 6.982 -2.007 -1.995) 7.534 13.408 ( 2.959 -7.466 19.105) 20.725 14.374 ( 3.348 -8.143 -13.667) 16.258 15.924 ( -5.928 8.988 2.569) 11.069 16.026 ( -3.658 4.816 -0.564) 6.074 17.289 ( -2.997 -6.767 21.666) 22.895 18.533 ( 4.881 -14.193 -16.701) 22.454 24.153 ( 0.382 0.249 2.109) 2.158 24.306 ( -0.052 -1.178 -2.478) 2.744 ======================= Grid point 819 (107/160) ======================= q-point: ( 0.16 0.16 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.583 ( 12.342 21.378 24.984) 35.122 4.783 ( 18.419 31.903 5.621) 37.265 5.647 ( 17.980 31.143 -6.542) 36.551 6.526 ( 6.724 11.647 -18.255) 22.674 7.514 ( 12.003 20.790 12.098) 26.883 7.830 ( 25.600 44.341 -0.023) 51.200 7.935 ( 7.695 13.328 -6.308) 16.632 8.091 ( 12.261 21.237 1.733) 24.584 8.482 ( 5.659 9.802 0.888) 11.353 8.719 ( 9.606 16.639 -15.256) 24.533 10.024 ( 1.077 1.866 11.428) 11.630 10.318 ( 3.593 6.224 -0.416) 7.199 11.029 ( 3.678 6.370 -1.358) 7.480 11.243 ( 9.380 16.247 -7.235) 20.107 11.446 ( -6.817 -11.808 9.718) 16.743 11.925 ( -4.146 -7.181 -3.914) 9.170 14.180 ( -9.796 -16.968 2.828) 19.796 14.479 ( -2.772 -4.802 -6.260) 8.363 16.062 ( 1.848 3.201 5.173) 6.358 16.157 ( 1.902 3.295 1.612) 4.132 18.332 ( 1.109 1.922 4.184) 4.736 18.994 ( -6.516 -11.287 -16.791) 21.255 24.051 ( 0.713 1.234 5.368) 5.554 24.452 ( -1.200 -2.078 -6.616) 7.038 ======================= Grid point 820 (108/160) ======================= q-point: ( 0.21 0.16 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.000 ( 13.585 18.567 20.671) 30.929 5.362 ( 15.982 26.840 2.646) 31.350 6.222 ( 12.574 33.430 -8.381) 36.687 6.718 ( 3.597 9.827 -12.800) 16.533 7.864 ( 6.649 19.359 11.292) 23.377 8.050 ( -0.149 4.636 1.081) 4.763 8.418 ( 6.768 23.181 -6.557) 25.023 8.577 ( 14.773 12.869 -8.970) 21.549 8.927 ( 24.367 27.782 4.084) 37.178 9.158 ( 24.262 19.288 -5.856) 31.543 10.042 ( -0.593 0.591 10.428) 10.462 10.428 ( 4.930 0.363 -2.625) 5.598 10.984 ( -7.165 0.768 6.556) 9.742 11.448 ( 5.291 11.738 -1.298) 12.940 11.541 ( 9.768 3.882 -5.160) 11.709 11.864 ( 1.221 2.111 -5.441) 5.962 13.860 ( -9.430 -14.646 7.599) 19.005 14.395 ( -0.169 -7.531 -9.305) 11.972 16.108 ( -0.743 4.292 5.754) 7.216 16.201 ( -0.750 3.721 1.976) 4.279 18.268 ( -8.799 -2.823 3.326) 9.822 18.763 ( -2.465 -18.359 -11.674) 21.896 24.077 ( 0.893 1.156 4.499) 4.730 24.410 ( -1.344 -2.095 -5.456) 5.997 ======================= Grid point 821 (109/160) ======================= q-point: ( 0.26 0.16 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.391 ( 13.160 14.916 16.865) 26.079 5.841 ( 13.194 21.153 1.310) 24.965 6.710 ( 6.169 32.878 -10.623) 35.098 6.830 ( -0.002 7.074 -8.335) 10.932 8.050 ( -3.947 6.775 6.125) 9.950 8.126 ( 2.077 16.782 8.635) 18.987 8.736 ( 8.488 18.042 -8.262) 21.583 8.851 ( 3.614 15.460 -10.680) 19.135 9.504 ( 14.707 15.633 7.713) 22.807 9.787 ( 18.569 13.011 3.724) 22.977 10.113 ( 16.328 4.531 0.794) 16.963 10.469 ( 2.337 -4.799 -5.471) 7.643 10.977 ( -1.427 13.822 8.108) 16.088 11.618 ( 9.306 -5.213 -13.785) 17.430 11.728 ( 8.365 9.111 2.666) 12.653 12.007 ( 5.566 10.511 -5.098) 12.941 13.591 ( -6.985 -11.624 12.600) 18.511 14.325 ( 1.702 -9.479 -11.436) 14.951 16.122 ( -3.096 5.553 5.467) 8.385 16.207 ( -3.087 4.251 1.984) 5.616 17.992 ( -16.314 -7.861 6.167) 19.131 18.570 ( 2.013 -21.270 -10.635) 23.865 24.103 ( 0.971 0.981 3.594) 3.850 24.367 ( -1.318 -2.075 -4.284) 4.939 ======================= Grid point 822 (110/160) ======================= q-point: ( 0.32 0.16 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.725 ( 11.307 10.954 12.926) 20.369 6.220 ( 10.318 15.947 1.690) 19.069 6.826 ( -3.766 1.777 -5.657) 7.025 7.084 ( -0.568 30.726 -11.222) 32.716 8.037 ( -5.871 9.037 11.256) 15.583 8.300 ( -0.094 14.746 5.530) 15.749 9.008 ( 1.178 16.382 -8.276) 18.392 9.073 ( 3.772 21.732 -10.286) 24.337 9.643 ( -6.177 8.273 7.469) 12.743 10.082 ( 9.065 6.606 8.617) 14.144 10.353 ( 0.263 -6.410 -8.597) 10.727 10.676 ( 23.494 6.262 -5.547) 24.939 11.173 ( 8.970 11.502 7.834) 16.557 11.728 ( 5.587 1.751 -11.340) 12.762 11.979 ( 14.206 2.899 0.417) 14.504 12.191 ( 6.728 5.027 -4.814) 9.681 13.405 ( -3.406 -8.321 15.942) 18.302 14.267 ( 2.882 -10.544 -12.884) 16.896 16.117 ( -4.549 7.071 4.390) 9.485 16.185 ( -4.657 5.131 1.710) 7.137 17.619 ( -15.605 -10.841 11.366) 22.142 18.406 ( 3.312 -21.498 -11.852) 24.771 24.128 ( 0.924 0.786 2.724) 2.982 24.327 ( -1.060 -1.976 -3.216) 3.921 ======================= Grid point 823 (111/160) ======================= q-point: ( 0.37 0.16 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.974 ( 7.324 6.820 9.068) 13.505 6.494 ( 6.653 10.183 1.437) 12.248 6.749 ( -5.401 -0.239 -1.189) 5.536 7.284 ( -7.970 25.175 -9.641) 28.111 8.038 ( -6.999 13.565 13.009) 20.055 8.406 ( -2.198 11.005 2.700) 11.543 9.156 ( -4.538 20.923 -6.528) 22.382 9.303 ( -3.967 20.653 -7.637) 22.374 9.640 ( -1.035 9.156 -1.045) 9.273 10.063 ( -7.703 -6.940 -8.011) 13.103 10.401 ( 2.827 7.146 9.359) 12.110 10.990 ( 8.651 2.466 -3.939) 9.821 11.460 ( 15.735 -0.125 4.374) 16.332 11.806 ( 1.233 1.615 -7.477) 7.749 12.238 ( 13.797 -1.333 -2.004) 14.005 12.326 ( 6.830 -1.294 -3.239) 7.669 13.310 ( 0.048 -5.815 16.535) 17.527 14.219 ( 3.871 -10.692 -13.936) 17.987 16.114 ( -4.827 8.739 2.778) 10.363 16.155 ( -5.468 6.340 1.306) 8.473 17.302 ( -8.669 -9.893 16.556) 21.146 18.275 ( 5.664 -19.978 -13.133) 24.570 24.148 ( 0.625 0.564 2.016) 2.184 24.296 ( -0.438 -1.719 -2.391) 2.977 ======================= Grid point 824 (112/160) ======================= q-point: ( 0.42 0.16 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.076 ( -0.907 1.572 7.185) 7.410 6.623 ( 1.594 -2.761 -9.123) 9.664 6.675 ( -4.891 8.471 11.595) 15.169 7.332 ( -12.052 20.875 -7.784) 25.330 8.050 ( -9.255 16.030 12.414) 22.287 8.441 ( -4.622 8.006 1.424) 9.354 9.238 ( -10.468 18.131 -7.384) 22.200 9.338 ( -13.115 22.716 -0.922) 26.246 9.774 ( -0.287 0.498 -13.288) 13.301 9.872 ( -0.615 1.066 -5.977) 6.102 10.467 ( -4.528 7.842 12.407) 15.361 11.067 ( 0.784 -1.358 -2.289) 2.775 11.609 ( 6.109 -10.581 2.258) 12.425 11.814 ( 0.073 -0.127 -6.423) 6.425 12.360 ( 3.773 -6.535 -2.897) 8.083 12.379 ( 3.710 -6.426 -1.501) 7.570 13.284 ( 2.569 -4.449 16.041) 16.844 14.198 ( 5.668 -9.816 -14.413) 18.337 16.125 ( -6.474 11.213 1.595) 13.045 16.130 ( -3.327 5.762 1.320) 6.783 17.174 ( 2.712 -4.698 18.991) 19.751 18.224 ( 9.986 -17.297 -13.636) 24.184 24.157 ( -0.097 0.168 1.715) 1.726 24.283 ( 0.667 -1.156 -2.052) 2.448 ======================= Grid point 840 (113/160) ======================= q-point: ( 0.21 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.352 ( 10.004 17.328 16.993) 26.251 5.833 ( 12.476 21.609 0.375) 24.955 6.830 ( 16.422 28.444 -12.739) 35.228 6.864 ( 2.580 4.469 -7.935) 9.465 8.123 ( 1.626 2.816 6.416) 7.193 8.202 ( 8.520 14.756 8.776) 19.167 8.813 ( 10.564 18.298 -4.544) 21.612 8.836 ( 9.218 15.966 -5.421) 19.216 9.511 ( 10.939 18.947 -1.275) 21.915 9.576 ( 18.701 32.392 -2.265) 37.471 10.035 ( -0.003 -0.006 8.479) 8.479 10.421 ( -0.892 -1.545 -3.910) 4.297 11.093 ( 5.433 9.410 3.845) 11.526 11.476 ( -1.331 -2.305 -9.723) 10.080 11.703 ( 5.929 10.269 3.797) 12.451 12.012 ( 5.200 9.007 -4.300) 11.254 13.600 ( -6.775 -11.734 9.497) 16.546 14.257 ( -3.804 -6.590 -11.548) 13.829 16.179 ( 1.758 3.044 6.434) 7.332 16.254 ( 0.998 1.729 2.826) 3.460 18.151 ( -5.911 -10.238 0.426) 11.829 18.387 ( -10.693 -18.521 -6.631) 22.391 24.100 ( 0.678 1.175 3.652) 3.896 24.368 ( -1.270 -2.200 -4.358) 5.044 ======================= Grid point 841 (114/160) ======================= q-point: ( 0.26 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.667 ( 9.475 13.250 13.116) 20.914 6.207 ( 9.879 16.374 0.034) 19.123 6.886 ( -2.007 -0.044 -3.803) 4.300 7.316 ( 8.265 27.718 -16.425) 33.262 8.156 ( -0.774 3.214 10.027) 10.558 8.436 ( 2.260 14.476 5.365) 15.603 9.118 ( 4.923 21.865 -2.739) 22.579 9.217 ( 10.331 21.194 -4.515) 24.006 9.786 ( 2.290 13.637 3.928) 14.375 10.038 ( 4.287 12.681 3.111) 13.743 10.212 ( 17.108 3.069 -4.826) 18.039 10.399 ( 6.727 0.444 -3.581) 7.634 11.260 ( -2.100 14.071 3.360) 14.618 11.533 ( 12.920 -3.324 -6.506) 14.842 11.869 ( 4.891 5.129 2.994) 7.694 12.151 ( 3.513 3.880 -4.635) 6.992 13.412 ( -4.889 -6.419 10.430) 13.187 14.141 ( -0.680 -9.310 -12.834) 15.870 16.228 ( -0.894 5.341 5.913) 8.018 16.274 ( -0.842 2.593 3.433) 4.384 17.822 ( -19.482 -9.273 2.465) 21.716 18.123 ( 2.823 -24.096 -6.058) 25.006 24.122 ( 0.751 0.991 2.780) 3.045 24.326 ( -1.198 -2.143 -3.288) 4.104 ======================= Grid point 842 (115/160) ======================= q-point: ( 0.32 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.924 ( 7.707 9.465 8.888) 15.099 6.474 ( 6.257 8.959 -2.053) 11.119 6.829 ( -3.450 0.294 3.856) 5.183 7.619 ( -2.933 23.315 -14.041) 27.374 8.199 ( 2.258 6.048 6.762) 9.349 8.554 ( -3.620 11.679 1.147) 12.281 9.391 ( 1.017 22.662 -2.299) 22.801 9.550 ( 1.142 25.962 -5.342) 26.531 9.874 ( -6.344 15.143 3.020) 16.694 10.126 ( -4.584 -1.777 -5.203) 7.158 10.348 ( 9.677 6.738 6.570) 13.498 10.769 ( 19.869 2.703 -3.883) 20.425 11.316 ( 0.636 2.934 6.772) 7.407 11.735 ( 9.076 -1.599 -7.450) 11.851 12.002 ( 9.881 -0.436 2.033) 10.097 12.217 ( 3.829 -2.137 -3.814) 5.811 13.306 ( -3.289 -1.740 9.760) 10.446 14.053 ( 2.209 -11.243 -13.635) 17.810 16.245 ( -3.116 5.194 3.994) 7.255 16.297 ( -1.752 7.138 3.672) 8.216 17.410 ( -16.286 -10.187 8.169) 20.874 17.965 ( 5.691 -23.329 -8.026) 25.319 24.144 ( 0.694 0.855 1.960) 2.248 24.288 ( -0.834 -2.008 -2.339) 3.193 ======================= Grid point 843 (116/160) ======================= q-point: ( 0.37 0.21 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.094 ( 2.778 5.584 5.402) 8.251 6.561 ( 1.692 -2.750 -8.100) 8.720 6.822 ( -2.559 7.364 15.171) 17.057 7.691 ( -9.308 16.826 -6.568) 20.320 8.348 ( 0.324 15.651 -1.808) 15.758 8.539 ( -5.863 2.855 -2.628) 7.031 9.569 ( -5.709 20.479 -2.835) 21.448 9.749 ( -6.355 23.076 -5.722) 24.610 9.903 ( -8.343 17.784 -0.094) 19.644 10.001 ( -8.968 3.390 -3.900) 10.350 10.562 ( 3.912 7.900 11.376) 14.392 10.985 ( 6.068 -2.868 0.497) 6.730 11.366 ( 8.397 -9.215 5.199) 13.508 11.781 ( 2.087 -4.264 -7.763) 9.099 12.167 ( 10.510 -6.071 -0.438) 12.145 12.246 ( 4.205 -6.236 -1.870) 7.750 13.259 ( -1.793 0.806 8.524) 8.748 14.001 ( 4.925 -11.549 -14.269) 19.007 16.239 ( -3.130 4.892 3.448) 6.754 16.339 ( -4.704 11.540 1.092) 12.510 17.128 ( -5.276 -7.577 13.797) 16.601 17.871 ( 9.223 -21.135 -9.254) 24.847 24.160 ( 0.217 0.652 1.372) 1.534 24.262 ( 0.068 -1.658 -1.688) 2.367 ======================= Grid point 860 (117/160) ======================= q-point: ( 0.26 0.26 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.904 ( 6.429 11.135 8.839) 15.603 6.464 ( 5.226 9.051 -3.123) 10.908 6.860 ( -0.576 -0.997 5.298) 5.422 7.782 ( 11.332 19.627 -20.057) 30.265 8.167 ( -0.440 -0.762 9.729) 9.768 8.667 ( 4.756 8.237 -1.579) 9.641 9.552 ( 11.608 20.106 1.958) 23.299 9.640 ( 12.796 22.164 0.182) 25.593 10.039 ( 6.833 11.835 0.345) 13.670 10.164 ( -1.565 -2.711 -5.745) 6.542 10.294 ( 6.600 11.432 4.769) 14.036 10.540 ( 6.447 11.166 -1.909) 13.034 11.418 ( -1.524 -2.639 1.821) 3.550 11.544 ( 4.419 7.653 -1.768) 9.013 11.930 ( 0.953 1.651 2.830) 3.412 12.170 ( -0.636 -1.101 -3.311) 3.547 13.338 ( -0.925 -1.602 5.810) 6.097 13.969 ( -4.700 -8.140 -13.272) 16.263 16.306 ( 0.659 1.142 4.425) 4.618 16.339 ( 3.451 5.977 5.415) 8.772 17.636 ( -8.481 -14.690 -0.968) 16.990 17.664 ( -9.847 -17.055 -0.969) 19.718 24.142 ( 0.597 1.033 1.941) 2.279 24.285 ( -1.158 -2.005 -2.321) 3.279 ======================= Grid point 861 (118/160) ======================= q-point: ( 0.32 0.26 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.097 ( 4.794 8.344 4.419) 10.590 6.521 ( -0.661 -3.278 -7.856) 8.538 6.899 ( 1.285 6.210 17.308) 18.433 7.991 ( -7.867 15.241 -7.833) 18.855 8.256 ( 13.146 0.590 -4.232) 13.823 8.726 ( -5.089 4.493 -11.991) 13.779 9.843 ( -1.506 22.136 3.725) 22.497 10.023 ( 3.323 21.114 -1.418) 21.421 10.143 ( -0.707 6.767 1.270) 6.921 10.225 ( -3.249 17.698 -0.725) 18.008 10.516 ( 6.983 9.903 6.905) 13.946 10.769 ( 14.758 -2.718 0.692) 15.022 11.286 ( -7.581 -5.841 6.022) 11.307 11.642 ( 5.767 -8.209 -5.735) 11.556 11.973 ( 5.028 -2.107 3.048) 6.246 12.141 ( 1.099 -4.511 -1.797) 4.978 13.329 ( -1.910 3.692 1.049) 4.287 13.834 ( 0.231 -11.061 -13.283) 17.287 16.316 ( -1.261 2.547 5.175) 5.904 16.471 ( 2.330 10.461 2.699) 11.052 17.237 ( -16.535 -7.287 4.911) 18.725 17.518 ( 7.066 -21.966 -3.334) 23.314 24.162 ( 0.520 1.031 1.157) 1.635 24.250 ( -0.681 -1.868 -1.462) 2.468 ======================= Grid point 862 (119/160) ======================= q-point: ( 0.37 0.26 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.193 ( -2.626 4.548 1.910) 5.588 6.476 ( 2.749 -4.761 -6.630) 8.613 6.952 ( -2.874 4.978 20.303) 21.101 7.978 ( -7.773 13.462 -3.316) 15.895 8.431 ( 3.692 -6.394 -5.143) 8.998 8.655 ( -4.541 7.864 -20.958) 22.840 9.935 ( -10.099 17.492 3.935) 20.578 10.114 ( -8.933 15.472 -2.790) 18.083 10.227 ( -9.390 16.264 2.090) 18.896 10.276 ( -8.938 15.482 0.320) 17.880 10.655 ( -0.051 0.089 10.022) 10.023 10.925 ( 0.762 -1.320 2.578) 2.995 11.133 ( 7.047 -12.206 6.886) 15.686 11.633 ( 6.313 -10.934 -7.661) 14.768 12.018 ( 4.360 -7.552 2.725) 9.136 12.127 ( 2.918 -5.054 -0.927) 5.909 13.333 ( -3.513 6.085 -1.017) 7.099 13.779 ( 6.241 -10.810 -13.268) 18.217 16.318 ( -1.764 3.056 5.411) 6.459 16.569 ( -6.347 10.993 -1.388) 12.770 17.030 ( 0.787 -1.363 10.239) 10.359 17.469 ( 11.302 -19.576 -4.208) 22.993 24.174 ( -0.431 0.746 0.739) 1.135 24.233 ( 0.768 -1.330 -1.019) 1.843 ======================= Grid point 881 (120/160) ======================= q-point: ( 0.32 0.32 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.249 ( 4.055 7.023 -0.047) 8.109 6.416 ( -3.592 -6.222 -5.053) 8.784 7.001 ( 1.804 3.124 21.966) 22.260 8.192 ( 2.132 3.692 -0.089) 4.264 8.276 ( 1.720 2.979 -8.190) 8.883 8.732 ( -1.121 -1.941 -27.754) 27.844 10.195 ( 6.817 11.807 4.971) 14.512 10.286 ( 4.578 7.930 2.576) 9.512 10.359 ( 5.800 10.045 2.663) 11.901 10.453 ( 1.451 2.513 -0.403) 2.930 10.658 ( -1.521 -2.634 11.293) 11.695 10.812 ( 9.186 15.911 4.131) 18.831 11.106 ( -7.076 -12.256 4.739) 14.925 11.451 ( -4.976 -8.619 -7.704) 12.586 11.937 ( -0.701 -1.214 3.995) 4.234 12.073 ( -1.143 -1.979 -0.769) 2.411 13.432 ( 3.531 6.115 -6.136) 9.355 13.635 ( -4.979 -8.624 -11.527) 15.233 16.349 ( 0.479 0.829 6.433) 6.504 16.691 ( 6.301 10.913 -1.809) 12.731 17.121 ( -5.510 -9.544 2.613) 11.326 17.157 ( -4.791 -8.298 3.142) 10.084 24.184 ( 0.667 1.156 0.356) 1.381 24.217 ( -0.844 -1.462 -0.624) 1.800 ======================= Grid point 1137 (121/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 0.000 -0.000 35.597) 35.597 2.215 ( -0.000 -0.000 35.597) 35.597 2.854 ( -0.000 0.000 -31.665) 31.665 2.854 ( -0.000 0.000 -31.665) 31.665 4.725 ( -0.000 -0.000 73.586) 73.586 6.009 ( -0.000 -0.000 -61.325) 61.325 6.774 ( 0.000 0.000 25.615) 25.615 6.774 ( 0.000 0.000 25.615) 25.615 7.265 ( 0.000 0.000 -25.864) 25.864 7.265 ( -0.000 -0.000 -25.864) 25.864 10.183 ( 0.000 -0.000 9.904) 9.904 10.183 ( 0.000 -0.000 9.904) 9.904 10.346 ( -0.000 0.000 -7.271) 7.271 10.346 ( -0.000 -0.000 -7.271) 7.271 14.160 ( 0.000 0.000 3.961) 3.961 14.254 ( 0.000 0.000 -5.799) 5.799 15.671 ( 0.000 0.000 10.456) 10.456 15.810 ( 0.000 -0.000 0.150) 0.150 15.810 ( 0.000 -0.000 0.150) 0.150 15.813 ( 0.000 0.000 -0.098) 0.098 15.813 ( 0.000 -0.000 -0.098) 0.098 15.861 ( 0.000 -0.000 -9.387) 9.387 24.184 ( 0.000 0.000 11.333) 11.333 24.408 ( 0.000 0.000 -11.900) 11.900 ======================= Grid point 1138 (122/160) ======================= q-point: ( 0.05 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 13.549 7.822 32.685) 36.236 2.653 ( 34.979 20.195 29.825) 50.209 2.968 ( 9.971 5.757 -29.841) 31.985 3.209 ( 29.478 17.019 -28.496) 44.391 4.781 ( 5.351 3.089 70.788) 71.057 6.012 ( 0.808 0.466 -57.406) 57.414 6.814 ( 3.561 2.056 25.338) 25.669 6.915 ( 11.885 6.862 22.626) 26.463 7.301 ( 3.185 1.839 -25.698) 25.960 7.377 ( 9.562 5.521 -24.759) 27.110 10.145 ( -2.790 -1.611 12.619) 13.023 10.182 ( -0.074 -0.043 10.173) 10.174 10.343 ( -0.114 -0.066 -8.483) 8.484 10.351 ( 0.383 0.221 -7.556) 7.569 13.744 ( -29.311 -16.923 15.199) 37.102 13.989 ( -22.316 -12.884 -11.408) 28.181 15.171 ( -16.009 -9.243 9.958) 20.997 15.351 ( -12.116 -6.995 -8.938) 16.602 15.820 ( 0.935 0.540 0.452) 1.170 15.828 ( 1.250 0.722 -0.402) 1.499 16.573 ( 37.600 21.709 8.613) 44.263 16.807 ( 46.539 26.869 -17.326) 56.462 24.181 ( -0.278 -0.160 11.124) 11.128 24.400 ( -0.615 -0.355 -11.707) 11.728 ======================= Grid point 1139 (123/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 22.646 13.075 26.479) 37.215 3.286 ( 17.774 10.262 -25.408) 32.662 3.577 ( 42.716 24.662 25.666) 55.602 4.049 ( 42.194 24.361 -24.497) 54.534 5.006 ( 16.388 9.461 60.264) 63.165 6.080 ( 6.256 3.612 -50.288) 50.804 6.930 ( 6.663 3.847 24.502) 25.682 7.264 ( 18.084 10.441 18.857) 28.136 7.404 ( 5.890 3.401 -25.181) 26.083 7.661 ( 14.726 8.502 -21.426) 27.353 10.103 ( 0.168 0.097 16.407) 16.408 10.182 ( 0.099 0.057 10.904) 10.905 10.357 ( 1.835 1.060 -10.754) 10.961 10.365 ( 0.878 0.507 -8.319) 8.381 13.094 ( -26.681 -15.404 17.774) 35.568 13.379 ( -29.131 -16.819 -12.589) 35.916 14.939 ( -6.780 -3.915 10.269) 12.913 15.133 ( -8.824 -5.094 -9.940) 14.234 15.850 ( 1.558 0.900 0.795) 1.967 15.864 ( 1.835 1.059 -0.749) 2.247 17.365 ( 31.770 18.343 14.680) 39.513 17.760 ( 36.267 20.939 -28.301) 50.544 24.173 ( -0.343 -0.198 10.543) 10.551 24.382 ( -0.947 -0.546 -11.181) 11.235 ======================= Grid point 1140 (124/160) ======================= q-point: ( 0.16 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( 27.229 15.720 20.292) 37.420 3.746 ( 22.673 13.090 -20.226) 33.083 4.386 ( 27.119 15.657 35.651) 47.450 4.961 ( 35.400 20.438 -26.556) 48.745 5.622 ( 39.191 22.627 35.815) 57.712 6.360 ( 20.658 11.927 -38.402) 45.207 7.107 ( 8.930 5.156 23.109) 25.306 7.560 ( 7.736 4.466 -24.259) 25.852 7.688 ( 18.943 10.937 15.458) 26.785 7.995 ( 14.243 8.223 -15.550) 22.634 10.189 ( 0.560 0.323 11.914) 11.932 10.196 ( 8.725 5.037 15.141) 18.187 10.391 ( 1.469 0.848 -9.343) 9.496 10.448 ( 6.749 3.897 -11.329) 13.750 12.535 ( -24.170 -13.955 13.221) 30.882 12.753 ( -25.622 -14.793 -9.645) 31.118 14.813 ( -4.986 -2.879 6.214) 8.471 14.931 ( -9.133 -5.273 -6.087) 12.176 15.884 ( 1.417 0.818 1.123) 1.984 15.906 ( 1.717 0.991 -1.073) 2.254 17.970 ( 21.707 12.532 17.419) 30.523 18.407 ( 21.421 12.368 -29.172) 38.247 24.167 ( -0.157 -0.091 9.685) 9.686 24.360 ( -0.977 -0.564 -10.381) 10.442 ======================= Grid point 1141 (125/160) ======================= q-point: ( 0.21 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.991 ( 28.665 16.550 15.212) 36.428 4.285 ( 24.879 14.364 -15.457) 32.622 4.864 ( 17.782 10.266 39.726) 44.718 5.549 ( 17.986 10.384 -32.347) 38.440 6.640 ( 47.119 27.204 17.347) 57.107 7.029 ( 35.444 20.463 -22.632) 46.768 7.324 ( 10.120 5.843 21.193) 24.201 7.744 ( 8.506 4.911 -22.876) 24.895 8.108 ( 19.215 11.094 11.135) 24.825 8.301 ( 14.109 8.146 -8.430) 18.343 10.208 ( 1.126 0.650 13.006) 13.071 10.430 ( 2.004 1.157 -10.394) 10.649 10.497 ( 17.595 10.158 9.567) 22.457 10.674 ( 13.390 7.731 -8.738) 17.760 11.976 ( -25.258 -14.583 14.446) 32.547 12.240 ( -20.592 -11.889 -13.117) 27.156 14.687 ( -7.332 -4.233 3.361) 9.109 14.742 ( -6.484 -3.744 -2.430) 7.872 15.908 ( 0.585 0.337 1.543) 1.684 15.937 ( 0.996 0.575 -1.475) 1.870 18.337 ( 10.991 6.345 17.574) 21.677 18.745 ( 9.279 5.357 -25.321) 27.494 24.167 ( 0.141 0.081 8.616) 8.618 24.339 ( -0.874 -0.504 -9.301) 9.355 ======================= Grid point 1142 (126/160) ======================= q-point: ( 0.26 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.630 ( 27.801 16.051 11.178) 33.992 4.847 ( 24.727 14.276 -11.461) 30.766 5.242 ( 16.255 9.385 35.115) 39.816 5.869 ( 11.937 6.892 -30.291) 33.279 7.554 ( 10.133 5.850 18.845) 22.182 7.560 ( 30.806 17.786 4.317) 35.833 7.689 ( 18.770 10.837 -8.989) 23.464 7.934 ( 8.161 4.711 -21.008) 23.024 8.649 ( 30.220 17.448 6.855) 35.562 8.762 ( 31.021 17.910 -4.456) 36.096 10.238 ( 1.541 0.890 14.030) 14.142 10.479 ( 2.294 1.325 -11.316) 11.622 10.948 ( 20.968 12.106 5.270) 24.778 11.032 ( 17.156 9.905 -3.141) 20.057 11.436 ( -20.910 -12.072 16.842) 29.438 11.798 ( -18.965 -10.950 -20.289) 29.854 14.496 ( -8.760 -5.058 8.060) 12.934 14.628 ( -4.538 -2.620 -5.832) 7.840 15.909 ( -0.540 -0.312 2.100) 2.191 15.948 ( -0.041 -0.024 -1.997) 1.998 18.473 ( 1.396 0.806 17.682) 17.755 18.853 ( 0.863 0.498 -21.911) 21.933 24.173 ( 0.372 0.215 7.391) 7.404 24.321 ( -0.779 -0.450 -7.976) 8.027 ======================= Grid point 1143 (127/160) ======================= q-point: ( 0.32 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.226 ( 24.939 14.399 7.895) 29.860 5.381 ( 22.412 12.940 -8.201) 27.148 5.595 ( 14.979 8.648 29.078) 33.833 6.116 ( 10.200 5.889 -25.010) 27.645 7.771 ( 9.016 5.205 16.238) 19.289 7.900 ( 4.310 2.488 3.375) 6.013 8.024 ( 12.398 7.158 -9.315) 17.080 8.104 ( 6.834 3.946 -18.716) 20.311 9.418 ( 34.241 19.769 11.822) 41.268 9.617 ( 39.407 22.752 -8.738) 46.335 10.275 ( 1.636 0.945 14.892) 15.011 10.531 ( 2.229 1.287 -12.045) 12.317 10.929 ( -14.171 -8.181 22.898) 28.144 11.389 ( -13.338 -7.701 -20.355) 25.525 11.462 ( 20.404 11.780 -2.049) 23.649 11.516 ( 17.814 10.285 -4.228) 20.999 14.307 ( -7.937 -4.582 13.200) 16.069 14.526 ( -4.562 -2.634 -9.926) 11.237 15.885 ( -1.468 -0.847 2.704) 3.191 15.936 ( -0.993 -0.573 -2.555) 2.801 18.418 ( -5.840 -3.372 19.327) 20.470 18.805 ( -4.658 -2.689 -21.006) 21.683 24.182 ( 0.453 0.261 6.088) 6.110 24.304 ( -0.729 -0.421 -6.529) 6.583 ======================= Grid point 1144 (128/160) ======================= q-point: ( 0.37 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.737 ( 20.110 11.610 5.154) 23.786 5.840 ( 18.041 10.416 -5.559) 21.561 5.904 ( 12.205 7.047 23.212) 27.156 6.321 ( 7.769 4.485 -19.856) 21.788 7.952 ( 6.966 4.022 13.642) 15.837 7.959 ( 2.198 1.269 12.318) 12.576 8.236 ( 4.851 2.801 -16.209) 17.150 8.248 ( 8.672 5.007 -17.114) 19.828 9.894 ( 2.951 1.704 20.508) 20.789 10.263 ( 10.676 6.164 -17.348) 21.282 10.309 ( 1.397 0.807 15.540) 15.624 10.577 ( 1.820 1.051 -12.577) 12.752 10.928 ( 19.241 11.109 13.087) 25.786 11.215 ( 4.720 2.725 -17.215) 18.057 11.913 ( 18.438 10.645 0.207) 21.291 11.939 ( 17.942 10.359 -2.233) 20.837 14.142 ( -6.614 -3.819 16.681) 18.346 14.424 ( -4.514 -2.606 -13.023) 14.027 15.847 ( -1.829 -1.056 3.215) 3.847 15.907 ( -1.480 -0.854 -3.020) 3.470 18.236 ( -9.640 -5.566 22.190) 24.826 18.662 ( -7.635 -4.408 -22.101) 23.794 24.192 ( 0.412 0.238 4.819) 4.842 24.288 ( -0.672 -0.388 -5.126) 5.184 ======================= Grid point 1145 (129/160) ======================= q-point: ( 0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.116 ( 13.297 7.677 2.943) 15.634 6.134 ( 8.028 4.635 17.614) 19.904 6.178 ( 11.767 6.794 -3.518) 14.036 6.456 ( 4.113 2.374 -15.585) 16.293 8.025 ( 3.719 2.147 20.704) 21.145 8.080 ( 4.323 2.496 11.450) 12.491 8.321 ( 2.704 1.561 -13.915) 14.261 8.428 ( 7.073 4.084 -19.725) 21.349 9.766 ( -7.782 -4.493 16.770) 19.026 10.162 ( -12.634 -7.294 -23.281) 27.474 10.336 ( 0.918 0.530 15.957) 15.992 10.611 ( 1.170 0.675 -12.927) 12.998 11.488 ( 23.316 13.461 3.787) 27.188 11.561 ( 18.812 10.861 -3.721) 22.039 12.277 ( 13.575 7.837 0.302) 15.677 12.297 ( 13.513 7.802 -1.856) 15.714 14.014 ( -4.652 -2.686 18.248) 19.022 14.328 ( -3.793 -2.190 -14.906) 15.536 15.808 ( -1.483 -0.856 3.548) 3.940 15.874 ( -1.294 -0.747 -3.315) 3.636 18.017 ( -9.079 -5.242 25.134) 27.232 18.487 ( -7.278 -4.202 -23.850) 25.287 24.200 ( 0.301 0.174 3.734) 3.750 24.274 ( -0.522 -0.302 -3.946) 3.992 ======================= Grid point 1146 (130/160) ======================= q-point: ( 0.47 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.258 ( 2.891 1.669 13.482) 13.890 6.321 ( 4.724 2.727 1.538) 5.667 6.358 ( 4.067 2.348 -2.259) 5.211 6.510 ( 1.007 0.581 -12.551) 12.604 8.107 ( 2.602 1.502 26.322) 26.493 8.145 ( 1.451 0.838 10.156) 10.293 8.360 ( 0.829 0.478 -12.480) 12.517 8.539 ( 2.391 1.380 -15.210) 15.458 9.684 ( 1.501 0.867 -0.197) 1.745 9.871 ( -11.094 -6.405 -17.165) 21.419 10.350 ( 0.317 0.183 16.156) 16.160 10.629 ( 0.401 0.231 -13.102) 13.110 11.845 ( 7.778 4.491 2.577) 9.343 11.879 ( 7.928 4.577 -1.110) 9.222 12.500 ( 5.549 3.204 0.619) 6.437 12.521 ( 5.521 3.188 -1.573) 6.566 13.940 ( -1.744 -1.007 18.389) 18.499 14.264 ( -1.633 -0.943 -15.687) 15.800 15.784 ( -0.567 -0.327 3.697) 3.755 15.853 ( -0.511 -0.295 -3.444) 3.495 17.864 ( -3.804 -2.196 27.045) 27.399 18.364 ( -3.064 -1.769 -25.105) 25.353 24.205 ( 0.120 0.069 3.060) 3.063 24.266 ( -0.209 -0.121 -3.225) 3.234 ======================= Grid point 1157 (131/160) ======================= q-point: ( 0.05 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 12.542 21.723 27.834) 37.469 3.147 ( 11.236 19.461 -12.121) 25.533 3.359 ( 23.386 40.506 10.691) 47.979 3.787 ( 22.978 39.799 -24.595) 52.123 4.918 ( 6.955 12.046 64.312) 65.799 6.048 ( 2.315 4.010 -52.394) 52.598 6.898 ( 3.717 6.439 24.701) 25.796 7.148 ( 9.137 15.826 19.164) 26.481 7.381 ( 3.731 6.462 -24.791) 25.889 7.569 ( 7.770 13.458 -22.478) 27.327 10.099 ( -1.250 -2.166 15.492) 15.692 10.183 ( -0.011 -0.019 10.221) 10.221 10.346 ( 0.572 0.991 -9.710) 9.777 10.367 ( 0.908 1.572 -7.882) 8.088 13.264 ( -15.950 -27.627 18.189) 36.722 13.554 ( -16.680 -28.891 -12.868) 35.757 14.974 ( -5.180 -8.972 10.878) 15.022 15.178 ( -5.608 -9.714 -10.439) 15.322 15.850 ( 1.278 2.214 0.688) 2.647 15.862 ( 1.528 2.646 -0.460) 3.090 17.167 ( 19.593 33.937 13.002) 41.288 17.526 ( 22.900 39.664 -26.280) 52.804 24.175 ( -0.204 -0.354 10.730) 10.738 24.388 ( -0.515 -0.893 -11.350) 11.397 ======================= Grid point 1158 (132/160) ======================= q-point: ( 0.11 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 18.885 25.327 21.530) 38.231 3.564 ( 16.985 18.745 -17.429) 30.719 4.180 ( 24.574 32.762 25.614) 48.304 4.643 ( 31.582 34.504 -23.262) 52.241 5.328 ( 23.217 25.182 45.595) 57.027 6.211 ( 10.444 10.739 -43.556) 46.060 7.057 ( 5.953 9.023 23.365) 25.744 7.456 ( 10.251 8.217 -2.633) 13.400 7.582 ( 9.594 14.869 -5.232) 18.453 7.864 ( 11.576 11.560 -17.761) 24.147 10.101 ( 3.400 0.316 14.887) 15.273 10.181 ( 0.465 -0.548 9.115) 9.143 10.398 ( 2.120 4.720 -8.286) 9.769 10.422 ( 2.746 4.966 -8.309) 10.062 12.750 ( -18.351 -18.501 13.312) 29.262 12.959 ( -20.896 -24.939 -8.759) 33.694 14.825 ( -3.535 -7.222 7.711) 11.141 14.978 ( -6.498 -10.362 -8.108) 14.674 15.899 ( 0.753 3.840 1.310) 4.127 15.919 ( 1.012 4.217 -0.765) 4.404 17.781 ( 19.230 22.111 16.131) 33.450 18.204 ( 20.257 22.007 -29.343) 41.901 24.169 ( -0.187 -0.223 10.017) 10.021 24.368 ( -0.751 -0.872 -10.696) 10.758 ======================= Grid point 1159 (133/160) ======================= q-point: ( 0.16 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( 21.879 26.113 16.161) 37.706 4.071 ( 20.252 19.798 -13.335) 31.303 4.751 ( 14.324 21.260 35.701) 43.951 5.377 ( 20.500 21.233 -29.312) 41.597 6.194 ( 40.323 35.318 22.357) 58.079 6.690 ( 28.088 22.239 -27.953) 45.441 7.266 ( 7.022 11.071 21.501) 25.183 7.672 ( 7.850 7.561 -18.590) 21.550 7.938 ( 14.189 13.558 8.375) 21.338 8.157 ( 11.836 7.969 -11.172) 18.122 10.173 ( 2.447 -0.775 10.104) 10.425 10.244 ( 9.309 -0.442 5.187) 10.666 10.515 ( 3.769 11.837 -3.153) 12.817 10.585 ( 8.031 9.809 -7.799) 14.884 12.245 ( -22.977 -15.417 10.492) 29.592 12.418 ( -17.192 -18.550 -7.631) 26.418 14.701 ( -2.897 -8.203 3.225) 9.278 14.766 ( -5.597 -11.086 -3.562) 12.919 15.943 ( -0.669 4.861 1.770) 5.216 15.970 ( -0.508 5.161 -1.017) 5.285 18.218 ( 12.661 11.820 16.554) 23.959 18.623 ( 12.020 8.751 -26.293) 30.205 24.166 ( 0.021 -0.009 9.062) 9.062 24.347 ( -0.763 -0.760 -9.760) 9.820 ======================= Grid point 1160 (134/160) ======================= q-point: ( 0.21 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 22.686 24.747 11.938) 35.631 4.615 ( 21.550 18.678 -8.232) 29.683 5.159 ( 11.393 20.140 32.337) 39.763 5.784 ( 10.367 13.769 -30.970) 35.443 7.210 ( 37.189 30.397 9.902) 49.041 7.444 ( 27.301 20.939 -12.791) 36.707 7.502 ( 7.777 12.762 17.360) 22.907 7.877 ( 6.937 8.768 -19.844) 22.777 8.347 ( 22.031 13.328 6.735) 26.615 8.470 ( 19.156 9.456 -5.165) 21.978 10.207 ( 2.396 -0.211 11.676) 11.921 10.383 ( 7.754 -2.419 -6.339) 10.303 10.803 ( 13.147 17.156 2.234) 21.729 10.878 ( 13.274 12.323 -4.905) 18.765 11.703 ( -23.506 -12.781 14.965) 30.657 11.988 ( -16.546 -13.231 -14.650) 25.758 14.529 ( -5.453 -11.314 4.918) 13.488 14.616 ( -1.394 -8.921 -4.151) 9.938 15.966 ( -2.498 5.191 2.096) 6.130 15.999 ( -2.187 5.264 -1.302) 5.847 18.437 ( 4.673 3.345 16.058) 17.056 18.801 ( 4.759 -0.088 -22.026) 22.535 24.169 ( 0.268 0.161 7.921) 7.927 24.328 ( -0.698 -0.672 -8.553) 8.608 ======================= Grid point 1161 (135/160) ======================= q-point: ( 0.26 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.007 ( 21.763 21.659 8.749) 31.926 5.146 ( 21.084 15.728 -2.574) 26.429 5.542 ( 9.943 21.295 23.839) 33.476 6.056 ( 7.558 12.347 -26.420) 30.126 7.728 ( 6.127 11.767 16.826) 21.427 7.855 ( 8.008 9.567 -0.508) 12.487 7.899 ( 14.643 14.145 -4.344) 20.818 8.075 ( 5.379 9.891 -18.980) 22.068 9.002 ( 35.756 18.449 8.085) 41.039 9.136 ( 40.265 19.321 -5.501) 44.998 10.244 ( 1.986 -0.190 13.066) 13.218 10.466 ( 4.753 -1.855 -10.092) 11.309 11.110 ( -8.582 -2.964 16.717) 19.023 11.244 ( 18.922 14.054 0.629) 23.579 11.375 ( 5.122 9.288 0.462) 10.617 11.596 ( -16.782 -8.424 -20.618) 27.887 14.332 ( -4.649 -11.218 10.576) 16.103 14.512 ( -0.850 -8.760 -8.424) 12.183 15.960 ( -4.166 5.043 2.423) 6.976 15.999 ( -3.571 4.784 -1.695) 6.205 18.452 ( -2.468 -3.267 16.852) 17.342 18.805 ( -0.452 -5.619 -19.857) 20.642 24.177 ( 0.425 0.215 6.655) 6.672 24.310 ( -0.640 -0.647 -7.158) 7.216 ======================= Grid point 1162 (136/160) ======================= q-point: ( 0.32 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.544 ( 19.199 16.731 7.090) 26.435 5.619 ( 18.469 12.427 3.218) 22.492 5.901 ( 7.586 21.551 13.462) 26.518 6.282 ( 5.524 10.856 -20.867) 24.162 7.920 ( 3.898 8.868 12.782) 16.038 7.966 ( 1.415 5.568 8.172) 9.989 8.186 ( 6.871 10.171 -12.758) 17.704 8.244 ( 3.146 10.528 -15.800) 19.245 9.728 ( 24.029 11.114 14.949) 30.404 9.971 ( 32.914 12.554 -9.193) 36.407 10.267 ( 3.051 -1.057 12.061) 12.486 10.505 ( 3.544 -3.793 -11.698) 12.798 10.899 ( -4.358 5.985 19.176) 20.556 11.300 ( -10.005 -0.002 -22.469) 24.596 11.698 ( 18.893 11.592 1.259) 22.201 11.744 ( 17.126 12.026 -2.961) 21.135 14.157 ( -3.546 -10.217 15.076) 18.554 14.414 ( -0.912 -8.411 -11.986) 14.671 15.927 ( -5.134 4.690 2.774) 7.486 15.974 ( -4.356 4.136 -2.152) 6.381 18.312 ( -7.129 -7.619 19.425) 22.050 18.694 ( -3.892 -8.812 -20.286) 22.457 24.187 ( 0.462 0.167 5.361) 5.383 24.293 ( -0.585 -0.658 -5.723) 5.790 ======================= Grid point 1163 (137/160) ======================= q-point: ( 0.37 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.952 ( 14.331 7.760 10.873) 19.591 6.013 ( 13.659 12.979 3.461) 19.157 6.205 ( 4.333 19.505 3.342) 20.258 6.442 ( 2.555 7.602 -15.852) 17.765 8.007 ( 1.498 4.448 14.945) 15.665 8.083 ( 2.180 8.326 10.458) 13.544 8.352 ( 1.118 9.991 -13.144) 16.548 8.410 ( 4.144 11.571 -16.975) 20.958 9.829 ( -6.039 -6.644 19.639) 21.594 10.210 ( -3.351 -8.694 -16.305) 18.779 10.358 ( 1.976 3.880 10.927) 11.763 10.607 ( 5.606 4.019 -12.195) 14.011 11.217 ( 22.863 15.378 7.562) 28.572 11.381 ( 12.587 11.447 -9.851) 19.660 12.095 ( 16.569 7.756 0.490) 18.301 12.123 ( 15.600 8.034 -2.207) 17.686 14.016 ( -2.218 -8.701 17.674) 19.824 14.320 ( -0.894 -7.663 -14.401) 16.337 15.884 ( -5.128 4.426 3.077) 7.440 15.938 ( -4.352 3.690 -2.555) 6.252 18.092 ( -8.230 -9.190 22.699) 25.834 18.522 ( -4.963 -9.870 -22.032) 24.646 24.195 ( 0.417 0.074 4.166) 4.188 24.278 ( -0.470 -0.642 -4.416) 4.487 ======================= Grid point 1164 (138/160) ======================= q-point: ( 0.42 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.186 ( 7.521 2.963 12.839) 15.172 6.307 ( 6.877 10.726 1.451) 12.823 6.410 ( -0.135 14.345 -2.207) 14.515 6.515 ( -0.402 4.223 -11.470) 12.229 8.082 ( 2.071 3.827 20.422) 20.881 8.173 ( -0.168 6.462 8.464) 10.650 8.442 ( -2.433 11.287 -9.258) 14.799 8.573 ( 0.981 10.875 -16.682) 19.938 9.668 ( -2.747 -4.923 9.460) 11.013 9.961 ( -10.081 -11.487 -19.111) 24.470 10.405 ( -1.987 6.195 15.147) 16.485 10.681 ( -1.525 6.147 -13.392) 14.814 11.693 ( 16.600 7.040 2.485) 18.202 11.735 ( 13.968 6.014 -1.767) 15.310 12.391 ( 11.118 3.655 0.355) 11.708 12.410 ( 11.071 3.555 -1.693) 11.750 13.918 ( -0.219 -6.845 18.437) 19.667 14.241 ( 0.054 -6.453 -15.645) 16.924 15.847 ( -4.245 4.509 3.269) 7.003 15.905 ( -3.586 3.682 -2.817) 5.861 17.890 ( -4.944 -7.643 25.413) 26.994 18.362 ( -2.541 -8.509 -23.747) 25.353 24.202 ( 0.303 -0.033 3.251) 3.265 24.266 ( -0.220 -0.538 -3.432) 3.481 ======================= Grid point 1165 (139/160) ======================= q-point: ( 0.47 0.05 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.265 ( 0.421 -0.729 12.078) 12.107 6.433 ( -4.746 8.220 3.372) 10.073 6.465 ( -2.777 4.809 -6.813) 8.790 6.531 ( -2.893 5.011 -8.539) 10.314 8.124 ( -0.586 1.016 22.221) 22.252 8.203 ( -2.807 4.861 7.618) 9.462 8.481 ( -6.378 11.047 -7.270) 14.683 8.633 ( -4.779 8.277 -12.730) 15.918 9.669 ( 2.091 -3.623 -5.928) 7.255 9.757 ( 1.581 -2.738 -11.231) 11.667 10.418 ( -3.608 6.249 15.560) 17.152 10.696 ( -3.520 6.097 -13.455) 15.185 11.865 ( 1.384 -2.397 2.093) 3.470 11.892 ( 1.920 -3.325 -0.835) 3.929 12.509 ( 1.313 -2.274 0.528) 2.679 12.528 ( 1.399 -2.423 -1.424) 3.140 13.882 ( 2.793 -4.837 18.355) 19.186 14.208 ( 2.702 -4.680 -15.982) 16.871 15.832 ( -2.925 5.066 3.333) 6.733 15.892 ( -2.407 4.169 -2.905) 5.622 17.807 ( 2.097 -3.632 26.493) 26.823 18.295 ( 3.031 -5.250 -24.456) 25.196 24.204 ( 0.095 -0.164 2.887) 2.893 24.261 ( 0.185 -0.321 -3.045) 3.068 ======================= Grid point 1178 (140/160) ======================= q-point: ( 0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.727 ( 17.527 30.357 15.632) 38.381 3.993 ( 14.095 24.413 -9.623) 29.787 4.748 ( 14.622 25.326 30.486) 42.245 5.298 ( 17.382 30.107 -25.870) 43.334 6.017 ( 25.647 44.423 23.829) 56.560 6.555 ( 15.100 26.154 -30.113) 42.648 7.270 ( 7.195 12.463 21.228) 25.646 7.634 ( 5.929 10.269 -10.509) 15.844 7.894 ( 9.255 16.030 0.819) 18.527 8.087 ( 6.339 10.979 -11.976) 17.440 10.138 ( 2.097 3.632 8.377) 9.368 10.166 ( -0.185 -0.321 6.320) 6.331 10.549 ( 5.805 10.055 -4.478) 12.444 10.564 ( 5.892 10.205 -5.472) 12.992 12.396 ( -10.479 -18.151 4.845) 21.511 12.451 ( -15.052 -26.070 -1.046) 30.122 14.677 ( -4.433 -7.678 3.211) 9.429 14.752 ( -7.124 -12.339 -4.536) 14.953 15.981 ( 2.411 4.177 2.117) 5.267 16.008 ( 2.564 4.441 -0.653) 5.169 18.166 ( 9.476 16.412 15.342) 24.383 18.556 ( 7.777 13.471 -26.119) 30.400 24.166 ( -0.028 -0.049 9.218) 9.218 24.350 ( -0.555 -0.961 -9.915) 9.977 ======================= Grid point 1179 (141/160) ======================= q-point: ( 0.16 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.328 ( 18.462 29.579 10.756) 36.489 4.487 ( 16.984 22.229 -2.434) 28.081 5.203 ( 11.409 24.876 26.565) 38.140 5.768 ( 11.009 18.824 -28.977) 36.266 6.958 ( 32.589 41.895 10.857) 54.177 7.218 ( 26.714 31.134 -15.779) 43.954 7.529 ( 6.979 15.552 18.302) 25.011 7.848 ( 7.434 10.043 -11.669) 17.097 8.199 ( 11.026 13.468 0.455) 17.412 8.301 ( 10.086 7.174 -6.303) 13.889 10.174 ( 1.227 0.880 7.363) 7.516 10.242 ( 6.379 1.144 0.103) 6.482 10.784 ( 8.453 14.154 -0.862) 16.508 10.821 ( 9.465 14.428 -4.460) 17.822 11.935 ( -19.236 -16.533 8.361) 26.708 12.071 ( -10.030 -16.127 -5.668) 19.820 14.504 ( -6.509 -12.328 1.285) 14.000 14.541 ( -2.267 -10.463 -2.512) 10.996 16.050 ( -0.027 5.530 2.625) 6.121 16.081 ( 0.086 5.603 -0.586) 5.634 18.400 ( 4.913 6.378 13.290) 15.538 18.725 ( 3.908 1.505 -20.851) 21.268 24.167 ( 0.145 0.144 8.200) 8.203 24.331 ( -0.594 -0.848 -8.850) 8.911 ======================= Grid point 1180 (142/160) ======================= q-point: ( 0.21 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.908 ( 17.751 25.791 7.766) 32.258 4.986 ( 18.052 19.319 3.036) 26.614 5.631 ( 9.139 27.295 17.619) 33.748 6.085 ( 6.899 16.883 -25.410) 31.278 7.756 ( 12.516 19.795 13.335) 26.950 7.810 ( 13.321 24.487 2.106) 27.955 7.844 ( 10.500 17.922 -2.748) 20.952 8.081 ( 7.807 12.267 -15.784) 21.460 8.626 ( 26.395 15.491 3.714) 30.830 8.701 ( 29.209 15.454 -3.890) 33.273 10.213 ( 1.844 0.794 9.520) 9.729 10.356 ( 6.042 -0.414 -5.464) 8.157 11.081 ( 9.845 7.978 2.447) 12.906 11.135 ( 10.732 13.937 -3.018) 17.847 11.523 ( -13.645 -3.690 11.322) 18.110 11.761 ( -11.605 -8.620 -12.950) 19.409 14.280 ( -4.707 -13.488 7.104) 15.954 14.417 ( -0.429 -10.873 -7.167) 13.030 16.084 ( -2.814 6.288 2.787) 7.432 16.116 ( -2.702 6.201 -0.642) 6.794 18.454 ( -1.081 -1.796 12.267) 12.445 18.734 ( 0.739 -6.810 -16.924) 18.258 24.173 ( 0.307 0.212 7.020) 7.030 24.313 ( -0.585 -0.817 -7.558) 7.625 ======================= Grid point 1181 (143/160) ======================= q-point: ( 0.26 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.408 ( 16.471 17.219 9.874) 25.793 5.474 ( 17.177 19.324 2.813) 26.008 6.033 ( 6.383 27.685 8.492) 29.654 6.338 ( 4.035 15.951 -19.375) 25.418 7.986 ( 1.579 13.281 11.190) 17.438 8.023 ( 0.724 9.728 5.174) 11.042 8.204 ( 7.019 17.385 -7.021) 20.020 8.316 ( 3.802 14.774 -14.682) 21.173 9.352 ( 34.335 17.061 8.515) 39.274 9.486 ( 38.778 16.443 -5.167) 42.436 10.227 ( 0.059 -1.744 10.600) 10.743 10.417 ( 2.759 -3.298 -8.911) 9.894 11.059 ( -7.566 0.738 16.630) 18.285 11.387 ( 2.587 -2.141 -16.828) 17.159 11.573 ( 7.921 11.832 2.615) 14.477 11.656 ( 5.463 13.438 -5.920) 15.668 14.088 ( -2.683 -13.148 12.466) 18.315 14.312 ( 0.698 -11.231 -11.111) 15.814 16.079 ( -5.142 6.637 2.722) 8.826 16.112 ( -4.915 6.313 -0.807) 8.041 18.341 ( -5.938 -8.051 14.008) 17.214 18.633 ( -1.477 -11.839 -16.307) 20.206 24.181 ( 0.395 0.153 5.755) 5.771 24.296 ( -0.553 -0.851 -6.158) 6.241 ======================= Grid point 1182 (144/160) ======================= q-point: ( 0.32 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.802 ( 13.943 10.766 12.960) 21.869 5.919 ( 14.481 16.385 0.332) 21.869 6.373 ( 2.794 25.583 0.507) 25.740 6.522 ( 0.696 13.244 -12.868) 18.479 8.071 ( -1.390 8.642 10.602) 13.748 8.153 ( 0.996 11.306 5.914) 12.798 8.459 ( 2.905 18.411 -9.686) 21.005 8.505 ( 1.288 16.123 -11.133) 19.635 9.829 ( 3.652 -0.036 16.326) 16.729 10.095 ( 14.357 1.043 -6.507) 15.798 10.287 ( 8.726 2.354 3.199) 9.587 10.448 ( 12.303 0.930 -9.184) 15.381 11.105 ( 6.825 12.816 12.844) 19.386 11.378 ( 1.290 6.807 -16.039) 17.472 11.897 ( 14.965 8.464 2.451) 17.366 11.958 ( 12.897 9.475 -3.800) 16.448 13.935 ( -0.885 -12.012 16.202) 20.189 14.221 ( 1.256 -10.946 -13.931) 17.761 16.045 ( -6.497 6.885 2.567) 9.809 16.079 ( -6.028 6.185 -1.048) 8.700 18.123 ( -7.777 -11.628 17.677) 22.542 18.467 ( -2.727 -14.250 -18.079) 23.181 24.189 ( 0.416 0.034 4.513) 4.532 24.278 ( -0.468 -0.887 -4.796) 4.900 ======================= Grid point 1183 (145/160) ======================= q-point: ( 0.37 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.081 ( 9.530 5.731 13.324) 17.355 6.264 ( 10.177 10.626 -3.536) 15.133 6.590 ( -2.571 14.523 -2.725) 14.998 6.649 ( -1.825 19.069 -6.663) 20.282 8.132 ( -1.198 7.925 14.980) 16.990 8.260 ( -0.503 9.492 3.138) 10.010 8.636 ( -2.764 18.885 -6.403) 20.132 8.703 ( 1.099 18.569 -13.033) 22.712 9.706 ( -7.510 -4.508 13.909) 16.437 10.008 ( -8.371 -10.194 -16.403) 21.049 10.472 ( 4.183 7.405 13.385) 15.858 10.721 ( 7.017 6.906 -12.019) 15.536 11.462 ( 17.840 9.067 5.712) 20.811 11.581 ( 10.870 7.931 -6.847) 15.098 12.206 ( 14.256 3.563 0.863) 14.720 12.240 ( 12.440 3.848 -2.519) 13.263 13.825 ( 0.814 -10.428 17.928) 20.756 14.142 ( 1.741 -10.170 -15.584) 18.690 16.001 ( -6.609 7.291 2.408) 10.131 16.036 ( -5.886 6.147 -1.288) 8.608 17.885 ( -5.869 -11.880 21.409) 25.178 18.286 ( -1.620 -14.118 -20.341) 24.813 24.195 ( 0.382 -0.083 3.434) 3.457 24.263 ( -0.271 -0.857 -3.635) 3.745 ======================= Grid point 1184 (146/160) ======================= q-point: ( 0.42 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.230 ( 3.843 1.303 11.585) 12.275 6.446 ( 4.109 1.573 -10.161) 11.073 6.639 ( -5.910 13.033 5.909) 15.483 6.772 ( -7.121 19.172 -7.026) 21.625 8.173 ( -1.851 5.506 17.396) 18.340 8.317 ( -2.726 7.704 1.992) 8.411 8.746 ( -6.787 19.134 -3.579) 20.615 8.851 ( -5.454 17.486 -11.490) 21.622 9.604 ( -0.107 -0.964 2.596) 2.771 9.770 ( -7.473 -6.848 -12.632) 16.196 10.557 ( -2.842 8.811 14.735) 17.403 10.824 ( -1.989 7.855 -12.923) 15.254 11.752 ( 10.225 -1.082 1.455) 10.385 11.779 ( 6.776 -1.320 -1.341) 7.032 12.414 ( 7.766 -1.386 0.197) 7.891 12.430 ( 7.557 -1.567 -1.449) 7.852 13.763 ( 3.065 -8.701 18.116) 20.329 14.089 ( 3.290 -8.888 -16.256) 18.817 15.971 ( -5.607 8.002 2.297) 10.037 16.007 ( -4.730 6.516 -1.428) 8.178 17.727 ( -0.009 -8.933 23.764) 25.387 18.164 ( 2.696 -11.607 -21.820) 24.862 24.199 ( 0.256 -0.198 2.747) 2.766 24.254 ( 0.097 -0.703 -2.907) 2.993 ======================= Grid point 1198 (147/160) ======================= q-point: ( 0.16 0.16 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.894 ( 16.118 27.917 5.417) 32.688 4.919 ( 12.676 21.956 6.497) 26.172 5.700 ( 14.695 25.453 15.092) 33.039 6.115 ( 9.756 16.898 -24.210) 31.094 7.725 ( 17.611 30.503 8.110) 36.143 7.828 ( 15.909 27.555 -4.859) 32.187 7.879 ( 13.063 22.625 6.927) 27.028 8.049 ( 6.475 11.215 -7.197) 14.816 8.482 ( 8.557 14.822 -0.448) 17.120 8.511 ( 11.826 20.482 -5.436) 24.268 10.203 ( 1.055 1.828 7.160) 7.464 10.293 ( 2.104 3.645 -2.653) 4.975 11.035 ( 6.179 10.702 2.169) 12.546 11.113 ( 8.041 13.928 -5.914) 17.135 11.637 ( -6.736 -11.667 10.117) 16.848 11.812 ( -5.739 -9.940 -7.917) 13.944 14.253 ( -7.332 -12.700 4.827) 15.438 14.359 ( -4.914 -8.512 -6.198) 11.620 16.144 ( 2.223 3.850 3.119) 5.431 16.174 ( 2.185 3.784 -0.147) 4.372 18.456 ( -0.455 -0.788 9.259) 9.303 18.686 ( -3.004 -5.204 -14.793) 15.967 24.171 ( 0.155 0.269 7.147) 7.154 24.314 ( -0.523 -0.906 -7.695) 7.766 ======================= Grid point 1199 (148/160) ======================= q-point: ( 0.21 0.16 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.331 ( 12.933 18.258 11.361) 25.094 5.408 ( 15.137 22.957 1.189) 27.524 6.171 ( 10.424 26.938 5.403) 29.386 6.418 ( 6.418 16.378 -17.338) 24.699 8.086 ( 4.929 15.270 11.168) 19.550 8.117 ( 1.167 10.636 5.257) 11.921 8.289 ( 6.375 22.466 -6.023) 24.117 8.368 ( 9.649 17.030 -11.852) 22.882 9.002 ( 27.304 24.117 3.799) 36.627 9.072 ( 28.821 21.765 -3.787) 36.314 10.222 ( -0.424 -0.398 8.437) 8.457 10.354 ( 2.134 -0.321 -5.380) 5.797 11.126 ( -0.856 -0.071 8.318) 8.362 11.298 ( 4.338 1.556 -9.798) 10.828 11.597 ( 3.087 9.321 6.577) 11.818 11.736 ( 0.361 6.643 -7.573) 10.080 14.023 ( -5.119 -12.567 9.422) 16.520 14.209 ( -2.025 -10.182 -10.046) 14.446 16.196 ( -1.151 4.970 3.200) 6.022 16.224 ( -1.108 4.655 0.104) 4.786 18.366 ( -5.605 -7.080 7.293) 11.607 18.542 ( -3.086 -12.553 -10.993) 16.969 24.177 ( 0.239 0.208 5.965) 5.974 24.296 ( -0.556 -0.948 -6.388) 6.482 ======================= Grid point 1200 (149/160) ======================= q-point: ( 0.26 0.16 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.699 ( 12.022 13.468 13.735) 22.684 5.849 ( 13.371 17.881 -2.111) 22.427 6.564 ( 5.400 25.507 -2.880) 26.231 6.639 ( 2.442 14.276 -9.596) 17.374 8.202 ( -1.831 10.404 8.392) 13.492 8.263 ( 0.485 12.635 3.874) 13.224 8.601 ( 4.701 23.190 -4.293) 24.048 8.654 ( 3.250 20.429 -8.755) 22.462 9.653 ( 22.806 13.628 7.731) 27.670 9.777 ( 28.616 13.469 -4.525) 31.949 10.191 ( 1.171 -1.042 7.082) 7.254 10.340 ( -0.003 -3.972 -7.847) 8.795 11.152 ( 1.682 8.034 10.252) 13.133 11.366 ( 5.047 1.168 -12.406) 13.444 11.798 ( 7.450 9.961 4.666) 13.286 11.899 ( 6.029 10.514 -5.858) 13.462 13.840 ( -2.426 -11.923 13.421) 18.116 14.092 ( 0.327 -11.130 -13.016) 17.129 16.204 ( -4.075 6.028 2.924) 7.841 16.230 ( -3.983 5.554 0.138) 6.836 18.144 ( -8.868 -11.929 9.832) 17.822 18.353 ( -2.303 -16.656 -11.750) 20.513 24.183 ( 0.293 0.074 4.741) 4.751 24.277 ( -0.523 -1.014 -5.046) 5.173 ======================= Grid point 1201 (150/160) ======================= q-point: ( 0.32 0.16 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.987 ( 9.383 8.202 13.779) 18.579 6.194 ( 10.143 11.092 -6.332) 16.309 6.759 ( -1.203 12.962 1.211) 13.074 6.879 ( 1.337 23.910 -9.838) 25.889 8.260 ( -2.846 9.351 10.744) 14.525 8.369 ( -1.079 10.202 0.146) 10.260 8.879 ( 0.096 22.596 -4.291) 23.000 8.897 ( 0.264 26.056 -6.597) 26.879 9.820 ( -6.443 1.487 11.047) 12.875 10.042 ( -3.222 -4.289 -11.186) 12.406 10.369 ( 14.516 6.353 8.918) 18.182 10.542 ( 20.136 6.637 -8.465) 22.829 11.333 ( 8.232 9.552 8.965) 15.472 11.516 ( 7.179 6.298 -10.484) 14.182 12.019 ( 10.795 4.000 3.326) 11.983 12.097 ( 8.469 4.529 -4.774) 10.725 13.709 ( -0.038 -10.849 15.872) 19.225 14.001 ( 1.885 -11.371 -14.909) 18.845 16.183 ( -5.766 7.043 2.355) 9.402 16.204 ( -5.819 6.573 0.042) 8.779 17.869 ( -7.772 -14.090 14.559) 21.700 18.151 ( -1.249 -17.843 -14.677) 23.138 24.188 ( 0.327 -0.054 3.580) 3.596 24.259 ( -0.383 -1.037 -3.797) 3.955 ======================= Grid point 1202 (151/160) ======================= q-point: ( 0.37 0.16 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.171 ( 5.575 3.455 11.410) 13.160 6.386 ( 4.883 2.336 -10.472) 11.788 6.859 ( -3.070 15.027 10.738) 18.723 7.081 ( -4.414 22.152 -11.735) 25.455 8.286 ( -3.336 6.901 11.728) 14.011 8.423 ( -1.818 6.058 -2.235) 6.709 9.065 ( -5.205 24.521 -1.678) 25.123 9.131 ( -3.149 24.892 -8.266) 26.417 9.702 ( -8.882 5.086 6.738) 12.254 9.869 ( -9.594 -2.717 -10.394) 14.403 10.630 ( 5.909 8.374 12.875) 16.456 10.854 ( 8.234 6.177 -10.064) 14.396 11.555 ( 10.575 0.271 5.492) 11.919 11.669 ( 5.403 0.924 -6.648) 8.617 12.232 ( 11.572 -0.893 1.039) 11.653 12.268 ( 9.223 -0.995 -2.623) 9.641 13.625 ( 2.053 -9.690 16.595) 19.326 13.934 ( 3.220 -11.019 -15.871) 19.587 16.156 ( -5.907 8.147 1.540) 10.180 16.170 ( -6.263 7.622 0.097) 9.866 17.641 ( -2.773 -12.776 18.625) 22.755 17.985 ( 2.055 -16.402 -17.180) 23.841 24.193 ( 0.303 -0.146 2.648) 2.669 24.245 ( -0.079 -0.957 -2.813) 2.972 ======================= Grid point 1203 (152/160) ======================= q-point: ( 0.42 0.16 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.237 ( 0.261 -0.452 9.597) 9.611 6.431 ( 1.172 -2.030 -10.614) 10.869 6.916 ( -8.064 13.967 13.227) 20.858 7.152 ( -10.926 18.924 -11.245) 24.575 8.290 ( -3.477 6.022 11.611) 13.534 8.435 ( -1.986 3.439 -3.191) 5.095 9.151 ( -12.427 21.525 -0.702) 24.864 9.235 ( -12.109 20.973 -8.268) 25.590 9.659 ( -4.376 7.579 1.262) 8.842 9.746 ( -2.962 5.131 -6.504) 8.798 10.721 ( -4.042 7.001 13.570) 15.796 10.950 ( -2.268 3.929 -9.835) 10.831 11.653 ( 4.860 -8.418 2.473) 10.030 11.712 ( 2.739 -4.743 -4.106) 6.846 12.336 ( 3.733 -6.465 0.057) 7.466 12.351 ( 3.655 -6.331 -1.282) 7.422 13.594 ( 4.740 -8.209 16.531) 19.056 13.905 ( 5.631 -9.753 -16.160) 19.697 16.148 ( -5.684 9.844 0.723) 11.390 16.149 ( -4.545 7.871 0.564) 9.106 17.552 ( 5.035 -8.720 20.242) 22.608 17.919 ( 7.619 -13.196 -18.131) 23.684 24.195 ( 0.145 -0.251 2.256) 2.274 24.240 ( 0.415 -0.719 -2.404) 2.543 ======================= Grid point 1219 (153/160) ======================= q-point: ( 0.21 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.663 ( 9.051 15.676 13.940) 22.847 5.822 ( 11.159 19.329 -3.007) 22.521 6.650 ( 12.664 21.934 -4.703) 25.761 6.690 ( 6.447 11.167 -8.056) 15.205 8.279 ( 3.677 6.369 8.141) 10.971 8.333 ( 5.752 9.963 3.525) 12.032 8.714 ( 12.233 21.188 -4.274) 24.837 8.726 ( 11.295 19.563 -5.006) 23.138 9.511 ( 13.513 23.405 0.919) 27.041 9.537 ( 16.116 27.913 -1.766) 32.280 10.189 ( -1.339 -2.320 7.784) 8.232 10.324 ( -1.613 -2.794 -6.245) 7.029 11.181 ( 3.624 6.276 5.548) 9.127 11.307 ( 1.212 2.099 -7.843) 8.209 11.794 ( 5.464 9.465 5.694) 12.323 11.910 ( 5.105 8.842 -6.150) 11.919 13.801 ( -5.813 -10.068 11.509) 16.359 14.028 ( -4.806 -8.324 -12.278) 15.593 16.273 ( 1.710 2.962 3.115) 4.626 16.293 ( 1.397 2.420 0.849) 2.921 18.181 ( -6.990 -12.108 2.963) 14.291 18.265 ( -8.638 -14.962 -5.765) 18.213 24.181 ( 0.100 0.173 4.821) 4.825 24.277 ( -0.593 -1.028 -5.133) 5.268 ======================= Grid point 1220 (154/160) ======================= q-point: ( 0.26 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.932 ( 7.670 10.322 13.997) 19.008 6.149 ( 8.603 12.419 -7.483) 16.860 6.863 ( 2.735 10.356 3.442) 11.251 7.029 ( 7.539 21.165 -13.037) 25.976 8.362 ( -0.363 4.753 10.077) 11.148 8.479 ( 0.542 8.811 -1.605) 8.972 9.083 ( 4.988 26.301 -0.360) 26.772 9.123 ( 6.903 26.470 -4.413) 27.709 9.879 ( 6.670 9.768 5.695) 13.127 9.996 ( 9.977 7.935 -6.195) 14.174 10.219 ( 7.496 4.637 4.640) 9.961 10.317 ( 7.949 3.527 -4.988) 10.026 11.332 ( 3.412 9.489 4.254) 10.944 11.421 ( 8.646 3.823 -5.232) 10.805 11.944 ( 4.078 4.912 4.830) 8.005 12.047 ( 3.466 4.539 -5.847) 8.173 13.634 ( -2.936 -8.979 12.766) 15.881 13.887 ( -1.521 -9.767 -13.652) 16.855 16.311 ( -1.850 4.887 2.640) 5.855 16.323 ( -1.244 4.073 1.280) 4.447 17.891 ( -11.180 -13.639 4.885) 18.300 18.001 ( -3.135 -18.947 -6.473) 20.266 24.184 ( 0.161 0.040 3.662) 3.665 24.257 ( -0.534 -1.075 -3.887) 4.068 ======================= Grid point 1221 (155/160) ======================= q-point: ( 0.32 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.119 ( 5.427 5.434 11.404) 13.750 6.336 ( 4.302 3.674 -10.721) 12.122 7.014 ( 1.556 13.583 14.184) 19.701 7.317 ( 2.017 20.798 -16.852) 26.844 8.368 ( -1.351 0.877 9.630) 9.763 8.517 ( -3.398 3.989 -5.239) 7.410 9.381 ( -1.598 28.117 1.397) 28.197 9.444 ( -1.329 29.124 -5.034) 29.586 9.935 ( -6.811 10.510 3.588) 13.028 10.017 ( -6.267 3.219 -5.217) 8.767 10.508 ( 15.428 7.403 9.041) 19.354 10.665 ( 18.729 5.469 -7.119) 20.769 11.451 ( 3.187 2.141 7.307) 8.254 11.592 ( 6.065 0.846 -7.565) 9.733 12.054 ( 7.327 -0.119 3.500) 8.121 12.133 ( 5.137 -0.671 -4.606) 6.932 13.523 ( -0.569 -7.975 12.923) 15.196 13.784 ( 1.200 -10.772 -14.345) 17.979 16.311 ( -4.016 5.998 2.728) 7.716 16.336 ( -3.662 7.117 0.318) 8.010 17.590 ( -7.365 -14.077 10.418) 18.998 17.789 ( 0.241 -18.771 -10.230) 21.379 24.187 ( 0.225 -0.032 2.590) 2.600 24.239 ( -0.322 -1.051 -2.758) 2.969 ======================= Grid point 1222 (156/160) ======================= q-point: ( 0.37 0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.221 ( 2.201 1.841 7.932) 8.435 6.388 ( 1.580 -1.460 -9.430) 9.672 7.151 ( -2.937 14.163 18.495) 23.480 7.481 ( -5.809 18.679 -15.242) 24.799 8.367 ( 0.672 1.209 3.761) 4.008 8.461 ( -2.884 -2.355 -5.207) 6.401 9.560 ( -8.658 25.290 1.848) 26.795 9.633 ( -8.240 25.185 -5.552) 27.074 9.916 ( -10.392 16.417 1.232) 19.469 9.947 ( -9.466 11.247 -2.069) 14.845 10.777 ( 6.468 5.974 10.621) 13.796 10.937 ( 7.775 1.842 -5.732) 9.834 11.478 ( 4.337 -7.743 6.652) 11.091 11.621 ( 1.898 -5.468 -8.418) 10.216 12.175 ( 7.864 -4.798 1.206) 9.291 12.207 ( 5.914 -4.947 -2.023) 7.971 13.461 ( 1.899 -6.859 12.497) 14.381 13.721 ( 3.960 -10.551 -14.695) 18.518 16.302 ( -4.461 7.038 2.918) 8.829 16.340 ( -5.342 9.410 -1.043) 10.871 17.402 ( 0.546 -11.406 14.547) 18.494 17.662 ( 5.408 -16.336 -12.636) 21.349 24.190 ( 0.174 -0.075 1.831) 1.841 24.227 ( 0.118 -0.896 -1.971) 2.168 ======================= Grid point 1239 (157/160) ======================= q-point: ( 0.26 0.26 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.099 ( 3.981 6.895 11.421) 13.923 6.317 ( 2.823 4.890 -10.845) 12.227 7.067 ( 6.370 11.033 15.323) 19.927 7.403 ( 9.994 17.311 -19.449) 27.889 8.377 ( -1.431 -2.478 11.610) 11.958 8.573 ( 0.173 0.300 -8.186) 8.194 9.586 ( 13.282 23.005 1.753) 26.621 9.622 ( 13.582 23.524 -1.829) 27.225 10.055 ( 5.009 8.677 1.181) 10.088 10.086 ( 2.039 3.532 -2.498) 4.783 10.390 ( 6.858 11.879 5.221) 14.676 10.482 ( 6.967 12.067 -4.212) 14.557 11.460 ( 0.878 1.521 2.445) 3.010 11.505 ( 2.768 4.794 -2.279) 5.987 11.998 ( 0.770 1.333 4.278) 4.547 12.088 ( 0.190 0.329 -4.945) 4.960 13.491 ( -3.362 -5.822 10.212) 12.226 13.715 ( -4.508 -7.808 -13.052) 15.863 16.382 ( 1.399 2.423 3.076) 4.158 16.404 ( 2.459 4.259 1.070) 5.033 17.628 ( -8.434 -14.608 0.256) 16.870 17.643 ( -8.823 -15.282 -1.122) 17.682 24.185 ( 0.054 0.094 2.571) 2.573 24.236 ( -0.571 -0.989 -2.739) 2.968 ======================= Grid point 1240 (158/160) ======================= q-point: ( 0.32 0.26 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 1264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.205 ( 2.605 3.593 7.038) 8.320 6.358 ( 0.489 -0.828 -8.786) 8.838 7.278 ( 3.616 12.858 21.822) 25.585 7.691 ( 2.956 17.664 -20.716) 27.385 8.313 ( 0.350 -5.386 7.719) 9.419 8.499 ( -4.838 -5.631 -11.395) 13.600 9.913 ( -2.067 24.420 3.401) 24.742 9.972 ( -0.868 23.033 -3.014) 23.246 10.181 ( -0.570 13.303 1.987) 13.463 10.210 ( -2.003 16.131 -1.047) 16.289 10.650 ( 11.832 7.607 6.656) 15.562 10.747 ( 14.307 3.238 -3.218) 15.018 11.405 ( -3.806 -6.899 6.435) 10.173 11.527 ( 1.144 -7.788 -6.356) 10.117 12.032 ( 3.840 -1.732 3.157) 5.264 12.092 ( 2.274 -2.752 -3.127) 4.746 13.404 ( -1.261 -4.194 7.020) 8.274 13.588 ( -0.437 -9.154 -11.995) 15.095 16.415 ( -1.404 4.607 4.795) 6.796 16.481 ( -0.438 7.563 -1.715) 7.767 17.340 ( -7.151 -11.053 5.675) 14.336 17.441 ( 1.014 -16.346 -4.783) 17.061 24.188 ( 0.143 0.119 1.565) 1.576 24.219 ( -0.286 -0.915 -1.701) 1.952 ======================= Grid point 1241 (159/160) ======================= q-point: ( 0.37 0.26 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.250 ( -0.720 1.248 4.156) 4.398 6.350 ( 1.180 -2.044 -6.266) 6.696 7.384 ( -5.251 9.095 24.333) 26.503 7.805 ( -8.365 14.488 -17.215) 24.005 8.343 ( 3.523 -6.104 -3.332) 7.796 8.358 ( 2.326 -4.028 -7.340) 8.690 10.010 ( -11.609 20.107 3.482) 23.478 10.065 ( -10.904 18.886 -2.544) 21.956 10.257 ( -9.815 17.001 1.220) 19.669 10.274 ( -9.628 16.677 -0.546) 19.264 10.830 ( 0.565 -0.979 7.725) 7.807 10.929 ( 0.935 -1.620 -2.497) 3.120 11.287 ( 5.873 -10.173 9.190) 14.914 11.469 ( 5.698 -9.869 -9.526) 14.852 12.065 ( 3.212 -5.564 2.212) 6.795 12.102 ( 2.839 -4.918 -1.700) 5.927 13.371 ( 1.222 -2.116 5.472) 5.993 13.536 ( 4.618 -7.998 -11.479) 14.733 16.426 ( -3.049 5.281 5.642) 8.308 16.519 ( -4.761 8.246 -3.946) 10.307 17.218 ( 3.862 -6.689 9.157) 11.980 17.368 ( 7.629 -13.214 -6.611) 16.629 24.191 ( -0.050 0.087 1.032) 1.037 24.212 ( 0.377 -0.653 -1.157) 1.381 ======================= Grid point 1260 (160/160) ======================= q-point: ( 0.32 0.32 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.265 ( 1.495 2.589 1.941) 3.564 6.325 ( -1.225 -2.121 -4.216) 4.876 7.478 ( 3.654 6.328 27.578) 28.529 7.995 ( 7.064 12.235 -24.176) 28.001 8.215 ( -1.349 -2.337 2.895) 3.958 8.329 ( -6.112 -10.586 -11.320) 16.660 10.268 ( 6.497 11.254 2.621) 13.257 10.297 ( 6.022 10.430 -0.569) 12.057 10.411 ( 3.181 5.510 2.248) 6.748 10.441 ( 2.117 3.667 -0.989) 4.349 10.836 ( 5.076 8.792 6.448) 12.027 10.878 ( 8.719 15.101 1.700) 17.520 11.196 ( -7.939 -13.750 4.906) 16.618 11.308 ( -7.221 -12.507 -7.071) 16.080 12.003 ( -0.529 -0.916 2.962) 3.145 12.049 ( -0.770 -1.334 -1.869) 2.422 13.365 ( 0.113 0.196 -0.051) 0.232 13.442 ( -3.049 -5.281 -7.885) 9.968 16.483 ( 1.170 2.027 7.369) 7.732 16.614 ( 2.854 4.944 -5.988) 8.273 17.175 ( -3.634 -6.294 2.445) 7.668 17.195 ( -3.692 -6.395 0.576) 7.407 24.192 ( 0.185 0.321 0.552) 0.665 24.204 ( -0.354 -0.613 -0.671) 0.975 =================== 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 3/60648 10.0 3080.483 3080.483 3480.549 -0.000 -0.000 -0.000 3/60648 20.0 1436.589 1436.589 1112.107 0.000 -0.000 -0.000 3/60648 30.0 597.612 597.612 549.016 0.000 -0.000 -0.000 3/60648 40.0 267.677 267.677 263.599 0.000 -0.000 -0.000 3/60648 50.0 134.773 134.773 135.488 0.000 -0.000 -0.000 3/60648 60.0 80.238 80.238 80.546 0.000 -0.000 -0.000 3/60648 70.0 54.879 54.879 54.300 0.000 -0.000 -0.000 3/60648 80.0 41.281 41.281 39.943 0.000 -0.000 -0.000 3/60648 90.0 33.052 33.052 31.156 0.000 -0.000 -0.000 3/60648 100.0 27.592 27.592 25.317 0.000 -0.000 -0.000 3/60648 110.0 23.715 23.715 21.202 0.000 -0.000 -0.000 3/60648 120.0 20.821 20.821 18.174 0.000 -0.000 -0.000 3/60648 130.0 18.578 18.578 15.871 0.000 -0.000 -0.000 3/60648 140.0 16.787 16.787 14.072 0.000 -0.000 -0.000 3/60648 150.0 15.325 15.325 12.634 0.000 -0.000 -0.000 3/60648 160.0 14.107 14.107 11.464 0.000 -0.000 -0.000 3/60648 170.0 13.076 13.076 10.494 0.000 -0.000 -0.000 3/60648 180.0 12.193 12.193 9.681 0.000 -0.000 -0.000 3/60648 190.0 11.427 11.427 8.988 0.000 -0.000 -0.000 3/60648 200.0 10.756 10.756 8.393 0.000 -0.000 -0.000 3/60648 210.0 10.162 10.162 7.875 0.000 -0.000 -0.000 3/60648 220.0 9.634 9.634 7.422 0.000 -0.000 -0.000 3/60648 230.0 9.161 9.161 7.021 0.000 -0.000 -0.000 3/60648 240.0 8.734 8.734 6.664 0.000 -0.000 -0.000 3/60648 250.0 8.347 8.347 6.343 0.000 -0.000 -0.000 3/60648 260.0 7.994 7.994 6.055 0.000 -0.000 -0.000 3/60648 270.0 7.671 7.671 5.793 0.000 -0.000 -0.000 3/60648 280.0 7.374 7.374 5.555 0.000 -0.000 -0.000 3/60648 290.0 7.100 7.100 5.336 0.000 -0.000 -0.000 3/60648 300.0 6.847 6.847 5.136 0.000 -0.000 -0.000 3/60648 310.0 6.611 6.611 4.951 0.000 -0.000 -0.000 3/60648 320.0 6.392 6.392 4.779 0.000 -0.000 -0.000 3/60648 330.0 6.187 6.187 4.620 0.000 -0.000 -0.000 3/60648 340.0 5.996 5.996 4.472 0.000 -0.000 -0.000 3/60648 350.0 5.816 5.816 4.333 0.000 -0.000 -0.000 3/60648 360.0 5.647 5.647 4.203 0.000 -0.000 -0.000 3/60648 370.0 5.488 5.488 4.082 0.000 -0.000 -0.000 3/60648 380.0 5.338 5.338 3.967 0.000 -0.000 -0.000 3/60648 390.0 5.196 5.196 3.859 0.000 -0.000 -0.000 3/60648 400.0 5.062 5.062 3.757 0.000 -0.000 -0.000 3/60648 410.0 4.934 4.934 3.661 0.000 -0.000 -0.000 3/60648 420.0 4.813 4.813 3.569 0.000 -0.000 -0.000 3/60648 430.0 4.698 4.698 3.482 0.000 -0.000 -0.000 3/60648 440.0 4.589 4.589 3.400 0.000 -0.000 -0.000 3/60648 450.0 4.484 4.484 3.321 0.000 -0.000 -0.000 3/60648 460.0 4.384 4.384 3.246 0.000 -0.000 -0.000 3/60648 470.0 4.289 4.289 3.175 0.000 -0.000 -0.000 3/60648 480.0 4.198 4.198 3.107 0.000 -0.000 -0.000 3/60648 490.0 4.110 4.110 3.041 0.000 -0.000 -0.000 3/60648 500.0 4.026 4.026 2.979 0.000 -0.000 -0.000 3/60648 510.0 3.946 3.946 2.919 0.000 -0.000 -0.000 3/60648 520.0 3.869 3.869 2.861 0.000 -0.000 -0.000 3/60648 530.0 3.795 3.795 2.806 0.000 -0.000 -0.000 3/60648 540.0 3.723 3.723 2.753 0.000 -0.000 -0.000 3/60648 550.0 3.655 3.655 2.702 0.000 -0.000 -0.000 3/60648 560.0 3.589 3.589 2.653 0.000 -0.000 -0.000 3/60648 570.0 3.525 3.525 2.605 0.000 -0.000 -0.000 3/60648 580.0 3.463 3.463 2.560 0.000 -0.000 -0.000 3/60648 590.0 3.404 3.404 2.516 0.000 -0.000 -0.000 3/60648 600.0 3.347 3.347 2.473 0.000 -0.000 -0.000 3/60648 610.0 3.291 3.291 2.432 0.000 -0.000 -0.000 3/60648 620.0 3.238 3.238 2.392 0.000 -0.000 -0.000 3/60648 630.0 3.186 3.186 2.354 0.000 -0.000 -0.000 3/60648 640.0 3.136 3.136 2.317 0.000 -0.000 -0.000 3/60648 650.0 3.087 3.087 2.280 0.000 -0.000 -0.000 3/60648 660.0 3.040 3.040 2.246 0.000 -0.000 -0.000 3/60648 670.0 2.994 2.994 2.212 0.000 -0.000 -0.000 3/60648 680.0 2.950 2.950 2.179 0.000 -0.000 -0.000 3/60648 690.0 2.907 2.907 2.147 0.000 -0.000 -0.000 3/60648 700.0 2.865 2.865 2.116 0.000 -0.000 -0.000 3/60648 710.0 2.824 2.824 2.086 0.000 -0.000 -0.000 3/60648 720.0 2.785 2.785 2.057 0.000 -0.000 -0.000 3/60648 730.0 2.747 2.747 2.029 0.000 -0.000 -0.000 3/60648 740.0 2.709 2.709 2.001 0.000 -0.000 -0.000 3/60648 750.0 2.673 2.673 1.974 0.000 -0.000 -0.000 3/60648 760.0 2.638 2.638 1.948 0.000 -0.000 -0.000 3/60648 770.0 2.603 2.603 1.923 0.000 -0.000 -0.000 3/60648 780.0 2.570 2.570 1.898 0.000 -0.000 -0.000 3/60648 790.0 2.537 2.537 1.874 0.000 -0.000 -0.000 3/60648 800.0 2.505 2.505 1.850 0.000 -0.000 -0.000 3/60648 810.0 2.474 2.474 1.827 0.000 -0.000 -0.000 3/60648 820.0 2.444 2.444 1.805 0.000 -0.000 -0.000 3/60648 830.0 2.414 2.414 1.783 0.000 -0.000 -0.000 3/60648 840.0 2.386 2.386 1.762 0.000 -0.000 -0.000 3/60648 850.0 2.357 2.357 1.741 0.000 -0.000 -0.000 3/60648 860.0 2.330 2.330 1.721 0.000 -0.000 -0.000 3/60648 870.0 2.303 2.303 1.701 0.000 -0.000 -0.000 3/60648 880.0 2.277 2.277 1.681 0.000 -0.000 -0.000 3/60648 890.0 2.251 2.251 1.662 0.000 -0.000 -0.000 3/60648 900.0 2.226 2.226 1.644 0.000 -0.000 -0.000 3/60648 910.0 2.202 2.202 1.626 0.000 -0.000 -0.000 3/60648 920.0 2.178 2.178 1.608 0.000 -0.000 -0.000 3/60648 930.0 2.154 2.154 1.591 0.000 -0.000 -0.000 3/60648 940.0 2.131 2.131 1.574 0.000 -0.000 -0.000 3/60648 950.0 2.109 2.109 1.557 0.000 -0.000 -0.000 3/60648 960.0 2.087 2.087 1.541 0.000 -0.000 -0.000 3/60648 970.0 2.065 2.065 1.525 0.000 -0.000 -0.000 3/60648 980.0 2.044 2.044 1.510 0.000 -0.000 -0.000 3/60648 990.0 2.023 2.023 1.494 0.000 -0.000 -0.000 3/60648 1000.0 2.003 2.003 1.479 0.000 -0.000 -0.000 3/60648 Thermal conductivity related properties were written into "kappa-m19197.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:40:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|