----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:45:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/mmm (123) Number of symmetry operations in supercell: 288 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.893914409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.893914409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.481306760000001 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.14307308105667 15.999 2 O 0.50000000000000 0.00000000000000 0.14307308105667 15.999 3 O 0.00000000000000 0.50000000000000 0.85692691894333 15.999 4 O 0.50000000000000 0.00000000000000 0.85692691894333 15.999 *5 Bi 0.50000000000000 0.50000000000000 0.74000063852079 208.980 6 Bi 0.50000000000000 0.50000000000000 0.25999936147921 208.980 *7 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 *8 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.893914409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.893914409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.481306760000001 Atomic positions (fractional): *1 O 0.00000000000000 0.50000000000000 0.14307308105667 15.999 > 1 2 O 0.50000000000000 0.00000000000000 0.14307308105667 15.999 > 2 3 O 0.00000000000000 0.50000000000000 0.85692691894333 15.999 > 3 4 O 0.50000000000000 0.00000000000000 0.85692691894333 15.999 > 4 *5 Bi 0.50000000000000 0.50000000000000 0.74000063852079 208.980 > 5 6 Bi 0.50000000000000 0.50000000000000 0.25999936147921 208.980 > 6 *7 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 7 *8 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.681743229999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.681743229999997 0.000000000000000 c 0.000000000000000 0.000000000000000 18.962613520000001 Atomic positions (fractional): *1 O 0.00000000000000 0.16666666666667 0.07153654052834 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.07153654052834 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.07153654052834 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.07153654052834 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.07153654052834 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.07153654052834 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.07153654052834 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.07153654052834 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.07153654052834 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.57153654052834 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.57153654052834 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.57153654052834 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.57153654052834 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.57153654052834 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.57153654052834 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.57153654052834 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.57153654052834 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.57153654052834 15.999 > 1 19 O 0.16666666666667 0.00000000000000 0.07153654052834 15.999 > 2 20 O 0.50000000000000 0.00000000000000 0.07153654052834 15.999 > 2 21 O 0.83333333333333 0.00000000000000 0.07153654052834 15.999 > 2 22 O 0.16666666666667 0.33333333333333 0.07153654052834 15.999 > 2 23 O 0.50000000000000 0.33333333333333 0.07153654052834 15.999 > 2 24 O 0.83333333333333 0.33333333333333 0.07153654052834 15.999 > 2 25 O 0.16666666666667 0.66666666666667 0.07153654052834 15.999 > 2 26 O 0.50000000000000 0.66666666666667 0.07153654052834 15.999 > 2 27 O 0.83333333333333 0.66666666666667 0.07153654052834 15.999 > 2 28 O 0.16666666666667 0.00000000000000 0.57153654052834 15.999 > 2 29 O 0.50000000000000 0.00000000000000 0.57153654052834 15.999 > 2 30 O 0.83333333333333 0.00000000000000 0.57153654052834 15.999 > 2 31 O 0.16666666666667 0.33333333333333 0.57153654052834 15.999 > 2 32 O 0.50000000000000 0.33333333333333 0.57153654052834 15.999 > 2 33 O 0.83333333333333 0.33333333333333 0.57153654052834 15.999 > 2 34 O 0.16666666666667 0.66666666666667 0.57153654052834 15.999 > 2 35 O 0.50000000000000 0.66666666666667 0.57153654052834 15.999 > 2 36 O 0.83333333333333 0.66666666666667 0.57153654052834 15.999 > 2 37 O 0.00000000000000 0.16666666666667 0.42846345947166 15.999 > 3 38 O 0.33333333333333 0.16666666666667 0.42846345947166 15.999 > 3 39 O 0.66666666666667 0.16666666666667 0.42846345947166 15.999 > 3 40 O 0.00000000000000 0.50000000000000 0.42846345947166 15.999 > 3 41 O 0.33333333333333 0.50000000000000 0.42846345947166 15.999 > 3 42 O 0.66666666666667 0.50000000000000 0.42846345947166 15.999 > 3 43 O 0.00000000000000 0.83333333333333 0.42846345947166 15.999 > 3 44 O 0.33333333333333 0.83333333333333 0.42846345947166 15.999 > 3 45 O 0.66666666666667 0.83333333333333 0.42846345947166 15.999 > 3 46 O 0.00000000000000 0.16666666666667 0.92846345947166 15.999 > 3 47 O 0.33333333333333 0.16666666666667 0.92846345947166 15.999 > 3 48 O 0.66666666666667 0.16666666666667 0.92846345947166 15.999 > 3 49 O 0.00000000000000 0.50000000000000 0.92846345947166 15.999 > 3 50 O 0.33333333333333 0.50000000000000 0.92846345947166 15.999 > 3 51 O 0.66666666666667 0.50000000000000 0.92846345947166 15.999 > 3 52 O 0.00000000000000 0.83333333333333 0.92846345947166 15.999 > 3 53 O 0.33333333333333 0.83333333333333 0.92846345947166 15.999 > 3 54 O 0.66666666666667 0.83333333333333 0.92846345947166 15.999 > 3 55 O 0.16666666666667 0.00000000000000 0.42846345947166 15.999 > 4 56 O 0.50000000000000 0.00000000000000 0.42846345947166 15.999 > 4 57 O 0.83333333333333 0.00000000000000 0.42846345947166 15.999 > 4 58 O 0.16666666666667 0.33333333333333 0.42846345947166 15.999 > 4 59 O 0.50000000000000 0.33333333333333 0.42846345947166 15.999 > 4 60 O 0.83333333333333 0.33333333333333 0.42846345947166 15.999 > 4 61 O 0.16666666666667 0.66666666666667 0.42846345947166 15.999 > 4 62 O 0.50000000000000 0.66666666666667 0.42846345947166 15.999 > 4 63 O 0.83333333333333 0.66666666666667 0.42846345947166 15.999 > 4 64 O 0.16666666666667 0.00000000000000 0.92846345947166 15.999 > 4 65 O 0.50000000000000 0.00000000000000 0.92846345947166 15.999 > 4 66 O 0.83333333333333 0.00000000000000 0.92846345947166 15.999 > 4 67 O 0.16666666666667 0.33333333333333 0.92846345947166 15.999 > 4 68 O 0.50000000000000 0.33333333333333 0.92846345947166 15.999 > 4 69 O 0.83333333333333 0.33333333333333 0.92846345947166 15.999 > 4 70 O 0.16666666666667 0.66666666666667 0.92846345947166 15.999 > 4 71 O 0.50000000000000 0.66666666666667 0.92846345947166 15.999 > 4 72 O 0.83333333333333 0.66666666666667 0.92846345947166 15.999 > 4 *73 Bi 0.16666666666667 0.16666666666667 0.37000031926039 208.980 > 5 74 Bi 0.50000000000000 0.16666666666667 0.37000031926039 208.980 > 5 75 Bi 0.83333333333333 0.16666666666667 0.37000031926039 208.980 > 5 76 Bi 0.16666666666667 0.50000000000000 0.37000031926039 208.980 > 5 77 Bi 0.50000000000000 0.50000000000000 0.37000031926039 208.980 > 5 78 Bi 0.83333333333333 0.50000000000000 0.37000031926039 208.980 > 5 79 Bi 0.16666666666667 0.83333333333333 0.37000031926039 208.980 > 5 80 Bi 0.50000000000000 0.83333333333333 0.37000031926039 208.980 > 5 81 Bi 0.83333333333333 0.83333333333333 0.37000031926039 208.980 > 5 82 Bi 0.16666666666667 0.16666666666667 0.87000031926039 208.980 > 5 83 Bi 0.50000000000000 0.16666666666667 0.87000031926039 208.980 > 5 84 Bi 0.83333333333333 0.16666666666667 0.87000031926039 208.980 > 5 85 Bi 0.16666666666667 0.50000000000000 0.87000031926039 208.980 > 5 86 Bi 0.50000000000000 0.50000000000000 0.87000031926039 208.980 > 5 87 Bi 0.83333333333333 0.50000000000000 0.87000031926039 208.980 > 5 88 Bi 0.16666666666667 0.83333333333333 0.87000031926039 208.980 > 5 89 Bi 0.50000000000000 0.83333333333333 0.87000031926039 208.980 > 5 90 Bi 0.83333333333333 0.83333333333333 0.87000031926039 208.980 > 5 91 Bi 0.16666666666667 0.16666666666667 0.12999968073961 208.980 > 6 92 Bi 0.50000000000000 0.16666666666667 0.12999968073961 208.980 > 6 93 Bi 0.83333333333333 0.16666666666667 0.12999968073961 208.980 > 6 94 Bi 0.16666666666667 0.50000000000000 0.12999968073961 208.980 > 6 95 Bi 0.50000000000000 0.50000000000000 0.12999968073961 208.980 > 6 96 Bi 0.83333333333333 0.50000000000000 0.12999968073961 208.980 > 6 97 Bi 0.16666666666667 0.83333333333333 0.12999968073961 208.980 > 6 98 Bi 0.50000000000000 0.83333333333333 0.12999968073961 208.980 > 6 99 Bi 0.83333333333333 0.83333333333333 0.12999968073961 208.980 > 6 100 Bi 0.16666666666667 0.16666666666667 0.62999968073961 208.980 > 6 101 Bi 0.50000000000000 0.16666666666667 0.62999968073961 208.980 > 6 102 Bi 0.83333333333333 0.16666666666667 0.62999968073961 208.980 > 6 103 Bi 0.16666666666667 0.50000000000000 0.62999968073961 208.980 > 6 104 Bi 0.50000000000000 0.50000000000000 0.62999968073961 208.980 > 6 105 Bi 0.83333333333333 0.50000000000000 0.62999968073961 208.980 > 6 106 Bi 0.16666666666667 0.83333333333333 0.62999968073961 208.980 > 6 107 Bi 0.50000000000000 0.83333333333333 0.62999968073961 208.980 > 6 108 Bi 0.83333333333333 0.83333333333333 0.62999968073961 208.980 > 6 *109 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 7 110 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 7 111 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 7 112 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 7 113 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 7 114 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 7 115 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 7 116 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 7 117 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 7 118 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 7 119 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 7 120 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 7 121 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 7 122 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 7 123 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 7 124 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 7 125 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 7 126 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 7 *127 I 0.00000000000000 0.00000000000000 0.25000000000000 126.904 > 8 128 I 0.33333333333333 0.00000000000000 0.25000000000000 126.904 > 8 129 I 0.66666666666667 0.00000000000000 0.25000000000000 126.904 > 8 130 I 0.00000000000000 0.33333333333333 0.25000000000000 126.904 > 8 131 I 0.33333333333333 0.33333333333333 0.25000000000000 126.904 > 8 132 I 0.66666666666667 0.33333333333333 0.25000000000000 126.904 > 8 133 I 0.00000000000000 0.66666666666667 0.25000000000000 126.904 > 8 134 I 0.33333333333333 0.66666666666667 0.25000000000000 126.904 > 8 135 I 0.66666666666667 0.66666666666667 0.25000000000000 126.904 > 8 136 I 0.00000000000000 0.00000000000000 0.75000000000000 126.904 > 8 137 I 0.33333333333333 0.00000000000000 0.75000000000000 126.904 > 8 138 I 0.66666666666667 0.00000000000000 0.75000000000000 126.904 > 8 139 I 0.00000000000000 0.33333333333333 0.75000000000000 126.904 > 8 140 I 0.33333333333333 0.33333333333333 0.75000000000000 126.904 > 8 141 I 0.66666666666667 0.33333333333333 0.75000000000000 126.904 > 8 142 I 0.00000000000000 0.66666666666667 0.75000000000000 126.904 > 8 143 I 0.33333333333333 0.66666666666667 0.75000000000000 126.904 > 8 144 I 0.66666666666667 0.66666666666667 0.75000000000000 126.904 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7028032 0.0000000 0.0000000 0.0000000 7.7028032 0.0000000 0.0000000 0.0000000 6.1678781 -------------------------- Born effective charges -------------------------- 1 O -4.0330514 0.0000000 0.0000000 0.0000000 -2.1943906 0.0000000 0.0000000 0.0000000 -2.4861127 2 O -2.1943906 0.0000000 0.0000000 0.0000000 -4.0330514 0.0000000 0.0000000 0.0000000 -2.4861127 3 O -4.0330514 0.0000000 0.0000000 0.0000000 -2.1943906 0.0000000 0.0000000 0.0000000 -2.4861127 4 O -2.1943906 0.0000000 0.0000000 0.0000000 -4.0330514 0.0000000 0.0000000 0.0000000 -2.4861127 5 Bi 5.4064157 0.0000000 0.0000000 0.0000000 5.4064157 0.0000000 0.0000000 0.0000000 2.9227284 6 Bi 5.4064157 0.0000000 0.0000000 0.0000000 5.4064157 0.0000000 0.0000000 0.0000000 2.9227284 7 Dy 3.7727281 0.0000000 0.0000000 0.0000000 3.7727281 0.0000000 0.0000000 0.0000000 5.9179284 8 I -2.1306757 0.0000000 0.0000000 0.0000000 -2.1306757 0.0000000 0.0000000 0.0000000 -1.8189343 ---------------------------------------------------------------------------- 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: 428 Number of blocks in projector: 428 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 37 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (428, 419), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (37, 37), data: True |-- (99, 95), data: True |-- (124, 124), data: True |-- (164, 159), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.024 Solver_block: 80 / 80 - Time: 0.376 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.488 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 428 Number of blocks in projector: 428 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 2 / 8 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 37 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (428, 419), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (37, 37), data: True |-- (99, 95), data: True |-- (124, 124), data: True |-- (164, 159), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:45:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:45:11]------------------------- 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: P4/mmm (123) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.893914409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.893914409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.481306760000001 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.14307308105667 15.999 2 O 0.50000000000000 0.00000000000000 0.14307308105667 15.999 3 O 0.00000000000000 0.50000000000000 0.85692691894333 15.999 4 O 0.50000000000000 0.00000000000000 0.85692691894333 15.999 5 Bi 0.50000000000000 0.50000000000000 0.74000063852079 208.980 6 Bi 0.50000000000000 0.50000000000000 0.25999936147921 208.980 7 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 8 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.681743229999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.681743229999997 0.000000000000000 c 0.000000000000000 0.000000000000000 18.962613520000001 Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.07153654052834 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.07153654052834 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.07153654052834 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.07153654052834 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.07153654052834 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.07153654052834 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.07153654052834 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.07153654052834 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.07153654052834 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.57153654052834 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.57153654052834 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.57153654052834 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.57153654052834 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.57153654052834 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.57153654052834 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.57153654052834 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.57153654052834 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.57153654052834 15.999 > 1 19 O 0.16666666666667 0.00000000000000 0.07153654052834 15.999 > 19 20 O 0.50000000000000 0.00000000000000 0.07153654052834 15.999 > 19 21 O 0.83333333333333 0.00000000000000 0.07153654052834 15.999 > 19 22 O 0.16666666666667 0.33333333333333 0.07153654052834 15.999 > 19 23 O 0.50000000000000 0.33333333333333 0.07153654052834 15.999 > 19 24 O 0.83333333333333 0.33333333333333 0.07153654052834 15.999 > 19 25 O 0.16666666666667 0.66666666666667 0.07153654052834 15.999 > 19 26 O 0.50000000000000 0.66666666666667 0.07153654052834 15.999 > 19 27 O 0.83333333333333 0.66666666666667 0.07153654052834 15.999 > 19 28 O 0.16666666666667 0.00000000000000 0.57153654052834 15.999 > 19 29 O 0.50000000000000 0.00000000000000 0.57153654052834 15.999 > 19 30 O 0.83333333333333 0.00000000000000 0.57153654052834 15.999 > 19 31 O 0.16666666666667 0.33333333333333 0.57153654052834 15.999 > 19 32 O 0.50000000000000 0.33333333333333 0.57153654052834 15.999 > 19 33 O 0.83333333333333 0.33333333333333 0.57153654052834 15.999 > 19 34 O 0.16666666666667 0.66666666666667 0.57153654052834 15.999 > 19 35 O 0.50000000000000 0.66666666666667 0.57153654052834 15.999 > 19 36 O 0.83333333333333 0.66666666666667 0.57153654052834 15.999 > 19 37 O 0.00000000000000 0.16666666666667 0.42846345947166 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.42846345947166 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.42846345947166 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.42846345947166 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.42846345947166 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.42846345947166 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.42846345947166 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.42846345947166 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.42846345947166 15.999 > 37 46 O 0.00000000000000 0.16666666666667 0.92846345947166 15.999 > 37 47 O 0.33333333333333 0.16666666666667 0.92846345947166 15.999 > 37 48 O 0.66666666666667 0.16666666666667 0.92846345947166 15.999 > 37 49 O 0.00000000000000 0.50000000000000 0.92846345947166 15.999 > 37 50 O 0.33333333333333 0.50000000000000 0.92846345947166 15.999 > 37 51 O 0.66666666666667 0.50000000000000 0.92846345947166 15.999 > 37 52 O 0.00000000000000 0.83333333333333 0.92846345947166 15.999 > 37 53 O 0.33333333333333 0.83333333333333 0.92846345947166 15.999 > 37 54 O 0.66666666666667 0.83333333333333 0.92846345947166 15.999 > 37 55 O 0.16666666666667 0.00000000000000 0.42846345947166 15.999 > 55 56 O 0.50000000000000 0.00000000000000 0.42846345947166 15.999 > 55 57 O 0.83333333333333 0.00000000000000 0.42846345947166 15.999 > 55 58 O 0.16666666666667 0.33333333333333 0.42846345947166 15.999 > 55 59 O 0.50000000000000 0.33333333333333 0.42846345947166 15.999 > 55 60 O 0.83333333333333 0.33333333333333 0.42846345947166 15.999 > 55 61 O 0.16666666666667 0.66666666666667 0.42846345947166 15.999 > 55 62 O 0.50000000000000 0.66666666666667 0.42846345947166 15.999 > 55 63 O 0.83333333333333 0.66666666666667 0.42846345947166 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.92846345947166 15.999 > 55 65 O 0.50000000000000 0.00000000000000 0.92846345947166 15.999 > 55 66 O 0.83333333333333 0.00000000000000 0.92846345947166 15.999 > 55 67 O 0.16666666666667 0.33333333333333 0.92846345947166 15.999 > 55 68 O 0.50000000000000 0.33333333333333 0.92846345947166 15.999 > 55 69 O 0.83333333333333 0.33333333333333 0.92846345947166 15.999 > 55 70 O 0.16666666666667 0.66666666666667 0.92846345947166 15.999 > 55 71 O 0.50000000000000 0.66666666666667 0.92846345947166 15.999 > 55 72 O 0.83333333333333 0.66666666666667 0.92846345947166 15.999 > 55 73 Bi 0.16666666666667 0.16666666666667 0.37000031926039 208.980 > 73 74 Bi 0.50000000000000 0.16666666666667 0.37000031926039 208.980 > 73 75 Bi 0.83333333333333 0.16666666666667 0.37000031926039 208.980 > 73 76 Bi 0.16666666666667 0.50000000000000 0.37000031926039 208.980 > 73 77 Bi 0.50000000000000 0.50000000000000 0.37000031926039 208.980 > 73 78 Bi 0.83333333333333 0.50000000000000 0.37000031926039 208.980 > 73 79 Bi 0.16666666666667 0.83333333333333 0.37000031926039 208.980 > 73 80 Bi 0.50000000000000 0.83333333333333 0.37000031926039 208.980 > 73 81 Bi 0.83333333333333 0.83333333333333 0.37000031926039 208.980 > 73 82 Bi 0.16666666666667 0.16666666666667 0.87000031926039 208.980 > 73 83 Bi 0.50000000000000 0.16666666666667 0.87000031926039 208.980 > 73 84 Bi 0.83333333333333 0.16666666666667 0.87000031926039 208.980 > 73 85 Bi 0.16666666666667 0.50000000000000 0.87000031926039 208.980 > 73 86 Bi 0.50000000000000 0.50000000000000 0.87000031926039 208.980 > 73 87 Bi 0.83333333333333 0.50000000000000 0.87000031926039 208.980 > 73 88 Bi 0.16666666666667 0.83333333333333 0.87000031926039 208.980 > 73 89 Bi 0.50000000000000 0.83333333333333 0.87000031926039 208.980 > 73 90 Bi 0.83333333333333 0.83333333333333 0.87000031926039 208.980 > 73 91 Bi 0.16666666666667 0.16666666666667 0.12999968073961 208.980 > 91 92 Bi 0.50000000000000 0.16666666666667 0.12999968073961 208.980 > 91 93 Bi 0.83333333333333 0.16666666666667 0.12999968073961 208.980 > 91 94 Bi 0.16666666666667 0.50000000000000 0.12999968073961 208.980 > 91 95 Bi 0.50000000000000 0.50000000000000 0.12999968073961 208.980 > 91 96 Bi 0.83333333333333 0.50000000000000 0.12999968073961 208.980 > 91 97 Bi 0.16666666666667 0.83333333333333 0.12999968073961 208.980 > 91 98 Bi 0.50000000000000 0.83333333333333 0.12999968073961 208.980 > 91 99 Bi 0.83333333333333 0.83333333333333 0.12999968073961 208.980 > 91 100 Bi 0.16666666666667 0.16666666666667 0.62999968073961 208.980 > 91 101 Bi 0.50000000000000 0.16666666666667 0.62999968073961 208.980 > 91 102 Bi 0.83333333333333 0.16666666666667 0.62999968073961 208.980 > 91 103 Bi 0.16666666666667 0.50000000000000 0.62999968073961 208.980 > 91 104 Bi 0.50000000000000 0.50000000000000 0.62999968073961 208.980 > 91 105 Bi 0.83333333333333 0.50000000000000 0.62999968073961 208.980 > 91 106 Bi 0.16666666666667 0.83333333333333 0.62999968073961 208.980 > 91 107 Bi 0.50000000000000 0.83333333333333 0.62999968073961 208.980 > 91 108 Bi 0.83333333333333 0.83333333333333 0.62999968073961 208.980 > 91 109 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 109 110 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 109 111 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 109 112 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 109 113 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 109 114 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 109 115 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 109 116 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 109 117 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 109 118 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 109 119 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 109 120 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 109 121 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 109 122 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 109 123 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 109 124 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 109 125 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 109 126 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 109 127 I 0.00000000000000 0.00000000000000 0.25000000000000 126.904 > 127 128 I 0.33333333333333 0.00000000000000 0.25000000000000 126.904 > 127 129 I 0.66666666666667 0.00000000000000 0.25000000000000 126.904 > 127 130 I 0.00000000000000 0.33333333333333 0.25000000000000 126.904 > 127 131 I 0.33333333333333 0.33333333333333 0.25000000000000 126.904 > 127 132 I 0.66666666666667 0.33333333333333 0.25000000000000 126.904 > 127 133 I 0.00000000000000 0.66666666666667 0.25000000000000 126.904 > 127 134 I 0.33333333333333 0.66666666666667 0.25000000000000 126.904 > 127 135 I 0.66666666666667 0.66666666666667 0.25000000000000 126.904 > 127 136 I 0.00000000000000 0.00000000000000 0.75000000000000 126.904 > 127 137 I 0.33333333333333 0.00000000000000 0.75000000000000 126.904 > 127 138 I 0.66666666666667 0.00000000000000 0.75000000000000 126.904 > 127 139 I 0.00000000000000 0.33333333333333 0.75000000000000 126.904 > 127 140 I 0.33333333333333 0.33333333333333 0.75000000000000 126.904 > 127 141 I 0.66666666666667 0.33333333333333 0.75000000000000 126.904 > 127 142 I 0.00000000000000 0.66666666666667 0.75000000000000 126.904 > 127 143 I 0.33333333333333 0.66666666666667 0.75000000000000 126.904 > 127 144 I 0.66666666666667 0.66666666666667 0.75000000000000 126.904 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7028032 0.0000000 0.0000000 0.0000000 7.7028032 0.0000000 0.0000000 0.0000000 6.1678781 -------------------------- Born effective charges -------------------------- 1 O -4.0330514 0.0000000 0.0000000 0.0000000 -2.1943906 0.0000000 0.0000000 0.0000000 -2.4861127 2 O -2.1943906 0.0000000 0.0000000 0.0000000 -4.0330514 0.0000000 0.0000000 0.0000000 -2.4861127 3 O -4.0330514 0.0000000 0.0000000 0.0000000 -2.1943906 0.0000000 0.0000000 0.0000000 -2.4861127 4 O -2.1943906 0.0000000 0.0000000 0.0000000 -4.0330514 0.0000000 0.0000000 0.0000000 -2.4861127 5 Bi 5.4064157 0.0000000 0.0000000 0.0000000 5.4064157 0.0000000 0.0000000 0.0000000 2.9227284 6 Bi 5.4064157 0.0000000 0.0000000 0.0000000 5.4064157 0.0000000 0.0000000 0.0000000 2.9227284 7 Dy 3.7727281 0.0000000 0.0000000 0.0000000 3.7727281 0.0000000 0.0000000 0.0000000 5.9179284 8 I -2.1306757 0.0000000 0.0000000 0.0000000 -2.1306757 0.0000000 0.0000000 0.0000000 -1.8189343 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Computing fc3[ 109, 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[ 127, 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 (zyy) -0.00000000 (zyy) -0.00000000 (zyy) 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 2026-01-08 10:45:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:45:22]------------------------- 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: P4/mmm (123) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.893914409999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.893914409999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.481306760000001 Atomic positions (fractional): 1 O 0.00000000000000 0.50000000000000 0.14307308105667 15.999 2 O 0.50000000000000 0.00000000000000 0.14307308105667 15.999 3 O 0.00000000000000 0.50000000000000 0.85692691894333 15.999 4 O 0.50000000000000 0.00000000000000 0.85692691894333 15.999 5 Bi 0.50000000000000 0.50000000000000 0.74000063852079 208.980 6 Bi 0.50000000000000 0.50000000000000 0.25999936147921 208.980 7 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 8 I 0.00000000000000 0.00000000000000 0.50000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.681743229999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.681743229999997 0.000000000000000 c 0.000000000000000 0.000000000000000 18.962613520000001 Atomic positions (fractional): 1 O 0.00000000000000 0.16666666666667 0.07153654052834 15.999 > 1 2 O 0.33333333333333 0.16666666666667 0.07153654052834 15.999 > 1 3 O 0.66666666666667 0.16666666666667 0.07153654052834 15.999 > 1 4 O 0.00000000000000 0.50000000000000 0.07153654052834 15.999 > 1 5 O 0.33333333333333 0.50000000000000 0.07153654052834 15.999 > 1 6 O 0.66666666666667 0.50000000000000 0.07153654052834 15.999 > 1 7 O 0.00000000000000 0.83333333333333 0.07153654052834 15.999 > 1 8 O 0.33333333333333 0.83333333333333 0.07153654052834 15.999 > 1 9 O 0.66666666666667 0.83333333333333 0.07153654052834 15.999 > 1 10 O 0.00000000000000 0.16666666666667 0.57153654052834 15.999 > 1 11 O 0.33333333333333 0.16666666666667 0.57153654052834 15.999 > 1 12 O 0.66666666666667 0.16666666666667 0.57153654052834 15.999 > 1 13 O 0.00000000000000 0.50000000000000 0.57153654052834 15.999 > 1 14 O 0.33333333333333 0.50000000000000 0.57153654052834 15.999 > 1 15 O 0.66666666666667 0.50000000000000 0.57153654052834 15.999 > 1 16 O 0.00000000000000 0.83333333333333 0.57153654052834 15.999 > 1 17 O 0.33333333333333 0.83333333333333 0.57153654052834 15.999 > 1 18 O 0.66666666666667 0.83333333333333 0.57153654052834 15.999 > 1 19 O 0.16666666666667 0.00000000000000 0.07153654052834 15.999 > 19 20 O 0.50000000000000 0.00000000000000 0.07153654052834 15.999 > 19 21 O 0.83333333333333 0.00000000000000 0.07153654052834 15.999 > 19 22 O 0.16666666666667 0.33333333333333 0.07153654052834 15.999 > 19 23 O 0.50000000000000 0.33333333333333 0.07153654052834 15.999 > 19 24 O 0.83333333333333 0.33333333333333 0.07153654052834 15.999 > 19 25 O 0.16666666666667 0.66666666666667 0.07153654052834 15.999 > 19 26 O 0.50000000000000 0.66666666666667 0.07153654052834 15.999 > 19 27 O 0.83333333333333 0.66666666666667 0.07153654052834 15.999 > 19 28 O 0.16666666666667 0.00000000000000 0.57153654052834 15.999 > 19 29 O 0.50000000000000 0.00000000000000 0.57153654052834 15.999 > 19 30 O 0.83333333333333 0.00000000000000 0.57153654052834 15.999 > 19 31 O 0.16666666666667 0.33333333333333 0.57153654052834 15.999 > 19 32 O 0.50000000000000 0.33333333333333 0.57153654052834 15.999 > 19 33 O 0.83333333333333 0.33333333333333 0.57153654052834 15.999 > 19 34 O 0.16666666666667 0.66666666666667 0.57153654052834 15.999 > 19 35 O 0.50000000000000 0.66666666666667 0.57153654052834 15.999 > 19 36 O 0.83333333333333 0.66666666666667 0.57153654052834 15.999 > 19 37 O 0.00000000000000 0.16666666666667 0.42846345947166 15.999 > 37 38 O 0.33333333333333 0.16666666666667 0.42846345947166 15.999 > 37 39 O 0.66666666666667 0.16666666666667 0.42846345947166 15.999 > 37 40 O 0.00000000000000 0.50000000000000 0.42846345947166 15.999 > 37 41 O 0.33333333333333 0.50000000000000 0.42846345947166 15.999 > 37 42 O 0.66666666666667 0.50000000000000 0.42846345947166 15.999 > 37 43 O 0.00000000000000 0.83333333333333 0.42846345947166 15.999 > 37 44 O 0.33333333333333 0.83333333333333 0.42846345947166 15.999 > 37 45 O 0.66666666666667 0.83333333333333 0.42846345947166 15.999 > 37 46 O 0.00000000000000 0.16666666666667 0.92846345947166 15.999 > 37 47 O 0.33333333333333 0.16666666666667 0.92846345947166 15.999 > 37 48 O 0.66666666666667 0.16666666666667 0.92846345947166 15.999 > 37 49 O 0.00000000000000 0.50000000000000 0.92846345947166 15.999 > 37 50 O 0.33333333333333 0.50000000000000 0.92846345947166 15.999 > 37 51 O 0.66666666666667 0.50000000000000 0.92846345947166 15.999 > 37 52 O 0.00000000000000 0.83333333333333 0.92846345947166 15.999 > 37 53 O 0.33333333333333 0.83333333333333 0.92846345947166 15.999 > 37 54 O 0.66666666666667 0.83333333333333 0.92846345947166 15.999 > 37 55 O 0.16666666666667 0.00000000000000 0.42846345947166 15.999 > 55 56 O 0.50000000000000 0.00000000000000 0.42846345947166 15.999 > 55 57 O 0.83333333333333 0.00000000000000 0.42846345947166 15.999 > 55 58 O 0.16666666666667 0.33333333333333 0.42846345947166 15.999 > 55 59 O 0.50000000000000 0.33333333333333 0.42846345947166 15.999 > 55 60 O 0.83333333333333 0.33333333333333 0.42846345947166 15.999 > 55 61 O 0.16666666666667 0.66666666666667 0.42846345947166 15.999 > 55 62 O 0.50000000000000 0.66666666666667 0.42846345947166 15.999 > 55 63 O 0.83333333333333 0.66666666666667 0.42846345947166 15.999 > 55 64 O 0.16666666666667 0.00000000000000 0.92846345947166 15.999 > 55 65 O 0.50000000000000 0.00000000000000 0.92846345947166 15.999 > 55 66 O 0.83333333333333 0.00000000000000 0.92846345947166 15.999 > 55 67 O 0.16666666666667 0.33333333333333 0.92846345947166 15.999 > 55 68 O 0.50000000000000 0.33333333333333 0.92846345947166 15.999 > 55 69 O 0.83333333333333 0.33333333333333 0.92846345947166 15.999 > 55 70 O 0.16666666666667 0.66666666666667 0.92846345947166 15.999 > 55 71 O 0.50000000000000 0.66666666666667 0.92846345947166 15.999 > 55 72 O 0.83333333333333 0.66666666666667 0.92846345947166 15.999 > 55 73 Bi 0.16666666666667 0.16666666666667 0.37000031926039 208.980 > 73 74 Bi 0.50000000000000 0.16666666666667 0.37000031926039 208.980 > 73 75 Bi 0.83333333333333 0.16666666666667 0.37000031926039 208.980 > 73 76 Bi 0.16666666666667 0.50000000000000 0.37000031926039 208.980 > 73 77 Bi 0.50000000000000 0.50000000000000 0.37000031926039 208.980 > 73 78 Bi 0.83333333333333 0.50000000000000 0.37000031926039 208.980 > 73 79 Bi 0.16666666666667 0.83333333333333 0.37000031926039 208.980 > 73 80 Bi 0.50000000000000 0.83333333333333 0.37000031926039 208.980 > 73 81 Bi 0.83333333333333 0.83333333333333 0.37000031926039 208.980 > 73 82 Bi 0.16666666666667 0.16666666666667 0.87000031926039 208.980 > 73 83 Bi 0.50000000000000 0.16666666666667 0.87000031926039 208.980 > 73 84 Bi 0.83333333333333 0.16666666666667 0.87000031926039 208.980 > 73 85 Bi 0.16666666666667 0.50000000000000 0.87000031926039 208.980 > 73 86 Bi 0.50000000000000 0.50000000000000 0.87000031926039 208.980 > 73 87 Bi 0.83333333333333 0.50000000000000 0.87000031926039 208.980 > 73 88 Bi 0.16666666666667 0.83333333333333 0.87000031926039 208.980 > 73 89 Bi 0.50000000000000 0.83333333333333 0.87000031926039 208.980 > 73 90 Bi 0.83333333333333 0.83333333333333 0.87000031926039 208.980 > 73 91 Bi 0.16666666666667 0.16666666666667 0.12999968073961 208.980 > 91 92 Bi 0.50000000000000 0.16666666666667 0.12999968073961 208.980 > 91 93 Bi 0.83333333333333 0.16666666666667 0.12999968073961 208.980 > 91 94 Bi 0.16666666666667 0.50000000000000 0.12999968073961 208.980 > 91 95 Bi 0.50000000000000 0.50000000000000 0.12999968073961 208.980 > 91 96 Bi 0.83333333333333 0.50000000000000 0.12999968073961 208.980 > 91 97 Bi 0.16666666666667 0.83333333333333 0.12999968073961 208.980 > 91 98 Bi 0.50000000000000 0.83333333333333 0.12999968073961 208.980 > 91 99 Bi 0.83333333333333 0.83333333333333 0.12999968073961 208.980 > 91 100 Bi 0.16666666666667 0.16666666666667 0.62999968073961 208.980 > 91 101 Bi 0.50000000000000 0.16666666666667 0.62999968073961 208.980 > 91 102 Bi 0.83333333333333 0.16666666666667 0.62999968073961 208.980 > 91 103 Bi 0.16666666666667 0.50000000000000 0.62999968073961 208.980 > 91 104 Bi 0.50000000000000 0.50000000000000 0.62999968073961 208.980 > 91 105 Bi 0.83333333333333 0.50000000000000 0.62999968073961 208.980 > 91 106 Bi 0.16666666666667 0.83333333333333 0.62999968073961 208.980 > 91 107 Bi 0.50000000000000 0.83333333333333 0.62999968073961 208.980 > 91 108 Bi 0.83333333333333 0.83333333333333 0.62999968073961 208.980 > 91 109 Dy 0.00000000000000 0.00000000000000 0.00000000000000 162.500 > 109 110 Dy 0.33333333333333 0.00000000000000 0.00000000000000 162.500 > 109 111 Dy 0.66666666666667 0.00000000000000 0.00000000000000 162.500 > 109 112 Dy 0.00000000000000 0.33333333333333 0.00000000000000 162.500 > 109 113 Dy 0.33333333333333 0.33333333333333 0.00000000000000 162.500 > 109 114 Dy 0.66666666666667 0.33333333333333 0.00000000000000 162.500 > 109 115 Dy 0.00000000000000 0.66666666666667 0.00000000000000 162.500 > 109 116 Dy 0.33333333333333 0.66666666666667 0.00000000000000 162.500 > 109 117 Dy 0.66666666666667 0.66666666666667 0.00000000000000 162.500 > 109 118 Dy 0.00000000000000 0.00000000000000 0.50000000000000 162.500 > 109 119 Dy 0.33333333333333 0.00000000000000 0.50000000000000 162.500 > 109 120 Dy 0.66666666666667 0.00000000000000 0.50000000000000 162.500 > 109 121 Dy 0.00000000000000 0.33333333333333 0.50000000000000 162.500 > 109 122 Dy 0.33333333333333 0.33333333333333 0.50000000000000 162.500 > 109 123 Dy 0.66666666666667 0.33333333333333 0.50000000000000 162.500 > 109 124 Dy 0.00000000000000 0.66666666666667 0.50000000000000 162.500 > 109 125 Dy 0.33333333333333 0.66666666666667 0.50000000000000 162.500 > 109 126 Dy 0.66666666666667 0.66666666666667 0.50000000000000 162.500 > 109 127 I 0.00000000000000 0.00000000000000 0.25000000000000 126.904 > 127 128 I 0.33333333333333 0.00000000000000 0.25000000000000 126.904 > 127 129 I 0.66666666666667 0.00000000000000 0.25000000000000 126.904 > 127 130 I 0.00000000000000 0.33333333333333 0.25000000000000 126.904 > 127 131 I 0.33333333333333 0.33333333333333 0.25000000000000 126.904 > 127 132 I 0.66666666666667 0.33333333333333 0.25000000000000 126.904 > 127 133 I 0.00000000000000 0.66666666666667 0.25000000000000 126.904 > 127 134 I 0.33333333333333 0.66666666666667 0.25000000000000 126.904 > 127 135 I 0.66666666666667 0.66666666666667 0.25000000000000 126.904 > 127 136 I 0.00000000000000 0.00000000000000 0.75000000000000 126.904 > 127 137 I 0.33333333333333 0.00000000000000 0.75000000000000 126.904 > 127 138 I 0.66666666666667 0.00000000000000 0.75000000000000 126.904 > 127 139 I 0.00000000000000 0.33333333333333 0.75000000000000 126.904 > 127 140 I 0.33333333333333 0.33333333333333 0.75000000000000 126.904 > 127 141 I 0.66666666666667 0.33333333333333 0.75000000000000 126.904 > 127 142 I 0.00000000000000 0.66666666666667 0.75000000000000 126.904 > 127 143 I 0.33333333333333 0.66666666666667 0.75000000000000 126.904 > 127 144 I 0.66666666666667 0.66666666666667 0.75000000000000 126.904 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7028032 0.0000000 0.0000000 0.0000000 7.7028032 0.0000000 0.0000000 0.0000000 6.1678781 -------------------------- Born effective charges -------------------------- 1 O -4.0330514 0.0000000 0.0000000 0.0000000 -2.1943906 0.0000000 0.0000000 0.0000000 -2.4861127 2 O -2.1943906 0.0000000 0.0000000 0.0000000 -4.0330514 0.0000000 0.0000000 0.0000000 -2.4861127 3 O -4.0330514 0.0000000 0.0000000 0.0000000 -2.1943906 0.0000000 0.0000000 0.0000000 -2.4861127 4 O -2.1943906 0.0000000 0.0000000 0.0000000 -4.0330514 0.0000000 0.0000000 0.0000000 -2.4861127 5 Bi 5.4064157 0.0000000 0.0000000 0.0000000 5.4064157 0.0000000 0.0000000 0.0000000 2.9227284 6 Bi 5.4064157 0.0000000 0.0000000 0.0000000 5.4064157 0.0000000 0.0000000 0.0000000 2.9227284 7 Dy 3.7727281 0.0000000 0.0000000 0.0000000 3.7727281 0.0000000 0.0000000 0.0000000 5.9179284 8 I -2.1306757 0.0000000 0.0000000 0.0000000 -2.1306757 0.0000000 0.0000000 0.0000000 -1.8189343 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zyy) -0.00000000 (zyy) -0.00000000 (zyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 299, Lambda: 0.22 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.789 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 5.594 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 12.845 ( 0.000 0.000 0.000) 0.000 13.565 ( 0.000 0.000 0.000) 0.000 13.565 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 17.366 0.000 0.000) 17.366 0.578 ( 27.872 0.000 0.000) 27.872 0.849 ( 41.735 0.000 0.000) 41.735 1.826 ( 3.560 0.000 0.000) 3.560 1.838 ( 3.542 0.000 0.000) 3.542 1.862 ( 0.558 0.000 0.000) 0.558 2.195 ( 7.391 0.000 0.000) 7.391 2.235 ( 5.819 0.000 0.000) 5.819 3.131 ( -0.791 0.000 0.000) 0.791 3.219 ( 2.729 0.000 0.000) 2.729 3.699 ( 6.277 0.000 0.000) 6.277 5.456 ( -12.642 0.000 0.000) 12.642 8.259 ( 12.495 0.000 0.000) 12.495 8.768 ( 8.516 0.000 0.000) 8.516 8.775 ( 12.218 0.000 0.000) 12.218 9.158 ( 0.168 0.000 0.000) 0.168 11.438 ( 5.926 0.000 0.000) 5.926 11.783 ( -0.353 0.000 0.000) 0.353 12.820 ( -2.346 0.000 0.000) 2.346 13.522 ( -4.328 0.000 0.000) 4.328 13.586 ( -2.497 0.000 0.000) 2.497 13.637 ( 7.021 0.000 0.000) 7.021 15.499 ( -4.674 0.000 0.000) 4.674 15.837 ( -3.738 0.000 0.000) 3.738 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 20.047 0.000 0.000) 20.047 1.078 ( 22.313 0.000 0.000) 22.313 1.623 ( 35.963 0.000 0.000) 35.963 1.881 ( 1.481 0.000 0.000) 1.481 1.882 ( 0.881 0.000 0.000) 0.881 1.916 ( 5.148 0.000 0.000) 5.148 2.376 ( 7.613 0.000 0.000) 7.613 2.424 ( 14.684 0.000 0.000) 14.684 3.108 ( -1.515 0.000 0.000) 1.515 3.279 ( 3.741 0.000 0.000) 3.741 3.899 ( 13.630 0.000 0.000) 13.630 5.165 ( -15.167 0.000 0.000) 15.167 8.610 ( 22.418 0.000 0.000) 22.418 8.773 ( -9.009 0.000 0.000) 9.009 9.121 ( 22.305 0.000 0.000) 22.305 9.339 ( 17.979 0.000 0.000) 17.979 11.598 ( 9.733 0.000 0.000) 9.733 11.761 ( -2.179 0.000 0.000) 2.179 12.765 ( -2.695 0.000 0.000) 2.695 13.394 ( -8.626 0.000 0.000) 8.626 13.513 ( -4.914 0.000 0.000) 4.914 13.825 ( 11.429 0.000 0.000) 11.429 15.376 ( -7.460 0.000 0.000) 7.460 15.722 ( -7.893 0.000 0.000) 7.893 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 20.849 0.000 0.000) 20.849 1.445 ( 14.443 0.000 0.000) 14.443 1.886 ( -0.130 0.000 0.000) 0.130 1.929 ( 3.614 0.000 0.000) 3.614 2.016 ( 4.773 0.000 0.000) 4.773 2.237 ( 25.350 0.000 0.000) 25.350 2.498 ( 4.016 0.000 0.000) 4.016 2.719 ( 13.765 0.000 0.000) 13.765 3.072 ( -2.076 0.000 0.000) 2.076 3.411 ( 10.831 0.000 0.000) 10.831 4.206 ( 16.551 0.000 0.000) 16.551 4.907 ( -10.091 0.000 0.000) 10.091 8.512 ( -15.790 0.000 0.000) 15.790 9.115 ( 27.738 0.000 0.000) 27.738 9.633 ( 28.880 0.000 0.000) 28.880 9.742 ( 20.881 0.000 0.000) 20.881 11.693 ( -4.521 0.000 0.000) 4.521 11.795 ( 9.496 0.000 0.000) 9.496 12.737 ( 0.466 0.000 0.000) 0.466 13.182 ( -12.883 0.000 0.000) 12.883 13.394 ( -7.069 0.000 0.000) 7.069 14.061 ( 11.799 0.000 0.000) 11.799 15.212 ( -9.101 0.000 0.000) 9.101 15.534 ( -10.794 0.000 0.000) 10.794 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 20.139 0.000 0.000) 20.139 1.645 ( 6.178 0.000 0.000) 6.178 1.887 ( 0.322 0.000 0.000) 0.322 2.030 ( 6.419 0.000 0.000) 6.419 2.098 ( 3.470 0.000 0.000) 3.470 2.518 ( -0.364 0.000 0.000) 0.364 2.627 ( 13.461 0.000 0.000) 13.461 2.926 ( 6.617 0.000 0.000) 6.617 3.028 ( -2.315 0.000 0.000) 2.315 3.710 ( 18.150 0.000 0.000) 18.150 4.522 ( 14.828 0.000 0.000) 14.828 4.785 ( -2.217 0.000 0.000) 2.217 8.191 ( -15.861 0.000 0.000) 15.861 9.669 ( 27.410 0.000 0.000) 27.410 10.121 ( 16.921 0.000 0.000) 16.921 10.237 ( 31.656 0.000 0.000) 31.656 11.592 ( -5.381 0.000 0.000) 5.381 11.946 ( 5.472 0.000 0.000) 5.472 12.800 ( 5.954 0.000 0.000) 5.954 12.886 ( -17.083 0.000 0.000) 17.083 13.238 ( -8.452 0.000 0.000) 8.452 14.272 ( 9.184 0.000 0.000) 9.184 15.020 ( -10.197 0.000 0.000) 10.197 15.315 ( -10.805 0.000 0.000) 10.805 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 2.025 0.000 0.000) 2.025 1.871 ( 12.990 0.000 0.000) 12.990 1.906 ( 5.016 0.000 0.000) 5.016 2.152 ( 2.007 0.000 0.000) 2.007 2.156 ( 5.582 0.000 0.000) 5.582 2.484 ( -2.135 0.000 0.000) 2.135 2.825 ( 6.896 0.000 0.000) 6.896 2.977 ( -1.021 0.000 0.000) 1.021 2.985 ( -1.976 0.000 0.000) 1.976 4.059 ( 15.552 0.000 0.000) 15.552 4.771 ( 9.983 0.000 0.000) 9.983 4.798 ( 2.554 0.000 0.000) 2.554 7.914 ( -11.589 0.000 0.000) 11.589 10.157 ( 20.958 0.000 0.000) 20.958 10.393 ( 10.312 0.000 0.000) 10.312 10.862 ( 31.080 0.000 0.000) 31.080 11.496 ( -4.042 0.000 0.000) 4.042 12.017 ( 2.068 0.000 0.000) 2.068 12.508 ( -21.026 0.000 0.000) 21.026 12.947 ( 7.884 0.000 0.000) 7.884 13.073 ( -7.827 0.000 0.000) 7.827 14.417 ( 5.500 0.000 0.000) 5.500 14.823 ( -9.122 0.000 0.000) 9.122 15.126 ( -7.913 0.000 0.000) 7.913 ======================= Grid point 6 (7/84) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.492 0.000 0.000) 0.492 1.908 ( 0.419 0.000 0.000) 0.419 2.148 ( 8.119 0.000 0.000) 8.119 2.178 ( 0.648 0.000 0.000) 0.648 2.234 ( 2.107 0.000 0.000) 2.107 2.451 ( -0.961 0.000 0.000) 0.961 2.913 ( 2.148 0.000 0.000) 2.148 2.925 ( -2.655 0.000 0.000) 2.655 2.956 ( -0.817 0.000 0.000) 0.817 4.279 ( 5.957 0.000 0.000) 5.957 4.847 ( 1.657 0.000 0.000) 1.657 4.906 ( 3.472 0.000 0.000) 3.472 7.754 ( -4.251 0.000 0.000) 4.251 10.454 ( 8.128 0.000 0.000) 8.128 10.527 ( 3.318 0.000 0.000) 3.318 11.437 ( 25.347 0.000 0.000) 25.347 11.441 ( -1.413 0.000 0.000) 1.413 12.041 ( 0.531 0.000 0.000) 0.531 12.070 ( -21.773 0.000 0.000) 21.773 12.955 ( -3.453 0.000 0.000) 3.453 13.070 ( 3.646 0.000 0.000) 3.646 14.489 ( 1.799 0.000 0.000) 1.799 14.688 ( -3.862 0.000 0.000) 3.862 15.016 ( -2.954 0.000 0.000) 2.954 ======================= Grid point 14 (8/84) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 12.589 12.589 0.000) 17.804 0.543 ( 13.475 13.475 0.000) 19.056 1.286 ( 28.072 28.072 0.000) 39.699 1.827 ( 1.575 1.575 0.000) 2.228 1.915 ( 3.030 3.030 0.000) 4.285 1.939 ( 7.119 7.119 0.000) 10.068 2.236 ( 4.973 4.973 0.000) 7.033 2.302 ( 6.720 6.720 0.000) 9.503 3.110 ( -2.964 -2.964 0.000) 4.192 3.294 ( 7.569 7.569 0.000) 10.704 3.728 ( 3.800 3.800 0.000) 5.374 5.357 ( -9.466 -9.466 0.000) 13.386 8.156 ( 0.948 0.948 0.000) 1.340 8.551 ( -5.176 -5.176 0.000) 7.320 9.110 ( -3.389 -3.389 0.000) 4.793 9.171 ( 21.291 21.291 0.000) 30.110 11.580 ( 9.771 9.771 0.000) 13.819 11.796 ( 1.102 1.102 0.000) 1.558 12.759 ( -4.724 -4.724 0.000) 6.681 13.413 ( -7.642 -7.642 0.000) 10.808 13.488 ( -5.920 -5.920 0.000) 8.373 13.772 ( 10.055 10.055 0.000) 14.220 15.547 ( -1.943 -1.943 0.000) 2.748 15.847 ( 0.735 0.735 0.000) 1.040 ======================= Grid point 15 (9/84) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 18.204 7.886 0.000) 19.839 0.975 ( 24.674 -3.835 0.000) 24.970 1.781 ( 17.781 12.661 0.000) 21.828 1.867 ( 1.873 0.557 0.000) 1.955 2.000 ( 9.274 7.418 0.000) 11.876 2.057 ( 4.532 11.223 0.000) 12.103 2.425 ( 13.527 0.255 0.000) 13.529 2.467 ( 8.787 9.539 0.000) 12.970 3.060 ( -1.654 -2.277 0.000) 2.815 3.430 ( 5.626 12.478 0.000) 13.687 3.889 ( 12.701 -0.575 0.000) 12.714 5.122 ( -13.031 -4.336 0.000) 13.733 8.368 ( 18.540 -16.835 0.000) 25.043 8.542 ( 1.796 -17.693 0.000) 17.784 9.007 ( -4.041 -4.811 0.000) 6.283 9.625 ( 23.225 16.983 0.000) 28.772 11.778 ( 10.167 14.755 0.000) 17.918 11.813 ( 0.247 5.042 0.000) 5.048 12.660 ( -4.851 -9.937 0.000) 11.058 13.239 ( -10.114 -12.326 0.000) 15.945 13.375 ( -5.921 -10.144 0.000) 11.745 14.000 ( 12.695 14.159 0.000) 19.017 15.427 ( -8.611 -0.326 0.000) 8.617 15.824 ( -3.514 10.172 0.000) 10.762 ======================= Grid point 16 (10/84) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 20.024 5.496 0.000) 20.764 1.417 ( 18.998 -2.207 0.000) 19.126 1.890 ( 0.545 0.822 0.000) 0.986 1.932 ( 3.610 4.248 0.000) 5.575 2.140 ( 4.224 11.308 0.000) 12.071 2.322 ( 16.831 3.229 0.000) 17.138 2.608 ( 5.123 10.497 0.000) 11.681 2.709 ( 13.727 -0.856 0.000) 13.754 3.045 ( -0.246 -0.118 0.000) 0.273 3.564 ( 9.619 13.420 0.000) 16.511 4.193 ( 16.824 -1.051 0.000) 16.857 4.888 ( -9.662 -1.891 0.000) 9.845 8.464 ( -10.921 -6.318 0.000) 12.616 8.824 ( 26.325 -24.643 0.000) 36.060 9.092 ( 13.504 -28.946 0.000) 31.941 10.071 ( 21.614 10.137 0.000) 23.873 11.798 ( -1.692 10.182 0.000) 10.321 11.961 ( 7.517 13.786 0.000) 15.702 12.588 ( -1.878 -14.383 0.000) 14.505 13.008 ( -13.380 -14.972 0.000) 20.080 13.250 ( -6.572 -10.883 0.000) 12.713 14.254 ( 12.518 16.616 0.000) 20.804 15.238 ( -10.175 -0.507 0.000) 10.188 15.714 ( -7.190 16.843 0.000) 18.313 ======================= Grid point 17 (11/84) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 19.845 4.466 0.000) 20.342 1.697 ( 9.027 4.347 0.000) 10.019 1.897 ( 0.390 1.050 0.000) 1.120 2.021 ( 5.900 1.193 0.000) 6.020 2.222 ( 3.939 11.644 0.000) 12.292 2.538 ( 4.022 0.692 0.000) 4.081 2.715 ( 7.337 7.377 0.000) 10.405 2.921 ( 6.941 -0.448 0.000) 6.955 3.029 ( -1.552 1.646 0.000) 2.262 3.827 ( 16.001 10.980 0.000) 19.406 4.516 ( 15.153 -0.445 0.000) 15.160 4.765 ( -2.588 -1.956 0.000) 3.245 8.191 ( -14.826 -0.289 0.000) 14.829 9.366 ( 27.562 -27.314 0.000) 38.804 9.446 ( 20.123 -42.271 0.000) 46.817 10.466 ( 18.059 -0.460 0.000) 18.065 11.756 ( -2.178 15.211 0.000) 15.366 12.053 ( 1.999 6.350 0.000) 6.657 12.577 ( -0.838 -18.958 0.000) 18.977 12.712 ( -16.451 -15.285 0.000) 22.456 13.141 ( -3.283 -7.102 0.000) 7.824 14.478 ( 9.763 18.182 0.000) 20.637 15.034 ( -10.188 0.234 0.000) 10.191 15.558 ( -8.118 21.362 0.000) 22.853 ======================= Grid point 18 (12/84) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 2.597 7.766 0.000) 8.189 1.896 ( 5.633 1.870 0.000) 5.936 1.931 ( 12.367 3.365 0.000) 12.817 2.146 ( 5.751 0.194 0.000) 5.754 2.289 ( 2.680 12.845 0.000) 13.122 2.554 ( -0.556 5.314 0.000) 5.343 2.857 ( 5.885 2.671 0.000) 6.463 2.976 ( -0.962 0.020 0.000) 0.963 2.992 ( -1.948 1.716 0.000) 2.596 4.138 ( 14.024 7.732 0.000) 16.014 4.770 ( 10.214 0.057 0.000) 10.214 4.771 ( 2.268 -2.699 0.000) 3.525 7.924 ( -11.392 0.817 0.000) 11.422 9.826 ( 17.032 -43.124 0.000) 46.366 9.872 ( 22.514 -26.350 0.000) 34.658 10.775 ( 12.977 -16.984 0.000) 21.375 11.733 ( 0.487 18.526 0.000) 18.533 12.072 ( 0.822 -0.520 0.000) 0.973 12.369 ( -17.822 -11.373 0.000) 21.142 12.492 ( -7.817 -28.441 0.000) 29.495 13.149 ( 3.433 -0.846 0.000) 3.536 14.633 ( 5.907 19.234 0.000) 20.121 14.849 ( -8.087 2.420 0.000) 8.442 15.412 ( -6.302 24.275 0.000) 25.080 ======================= Grid point 19 (13/84) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.581 8.382 0.000) 8.403 1.916 ( 0.369 0.765 0.000) 0.849 2.195 ( 8.742 4.962 0.000) 10.052 2.224 ( 2.024 0.358 0.000) 2.055 2.322 ( 0.524 13.561 0.000) 13.572 2.544 ( -0.286 7.511 0.000) 7.516 2.922 ( -2.830 -0.197 0.000) 2.837 2.935 ( 2.035 0.867 0.000) 2.212 2.962 ( -0.905 2.229 0.000) 2.405 4.338 ( 5.446 5.885 0.000) 8.019 4.817 ( 1.595 -3.031 0.000) 3.425 4.908 ( 3.564 0.349 0.000) 3.581 7.766 ( -4.241 0.894 0.000) 4.334 10.071 ( 6.767 -37.056 0.000) 37.668 10.201 ( 9.332 -23.498 0.000) 25.283 10.962 ( 5.278 -35.548 0.000) 35.938 11.804 ( 7.444 14.431 0.000) 16.238 12.034 ( -15.199 0.502 0.000) 15.208 12.104 ( 2.256 1.341 0.000) 2.625 12.325 ( -6.901 -40.217 0.000) 40.805 13.220 ( 2.402 0.357 0.000) 2.428 14.710 ( 1.945 19.781 0.000) 19.876 14.734 ( -3.180 4.655 0.000) 5.637 15.323 ( -2.387 25.801 0.000) 25.912 ======================= Grid point 28 (14/84) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 14.410 14.410 0.000) 20.379 1.073 ( 13.558 13.558 0.000) 19.174 1.893 ( 1.613 1.613 0.000) 2.281 2.051 ( 10.990 10.990 0.000) 15.543 2.096 ( 5.958 5.958 0.000) 8.426 2.300 ( 10.560 10.560 0.000) 14.934 2.465 ( 5.986 5.986 0.000) 8.466 2.674 ( 8.022 8.022 0.000) 11.345 3.067 ( 3.538 3.538 0.000) 5.004 3.699 ( 12.304 12.304 0.000) 17.400 3.922 ( 6.472 6.472 0.000) 9.153 4.997 ( -8.009 -8.009 0.000) 11.326 8.182 ( -0.099 -0.099 0.000) 0.141 8.255 ( -9.418 -9.418 0.000) 13.319 8.887 ( -8.285 -8.285 0.000) 11.717 9.912 ( 12.280 12.280 0.000) 17.366 11.937 ( 6.746 6.746 0.000) 9.540 12.075 ( 13.901 13.901 0.000) 19.660 12.418 ( -13.273 -13.273 0.000) 18.771 12.968 ( -14.842 -14.842 0.000) 20.990 13.192 ( -8.258 -8.258 0.000) 11.679 14.310 ( 16.410 16.410 0.000) 23.207 15.340 ( -7.033 -7.033 0.000) 9.946 16.005 ( 6.077 6.077 0.000) 8.594 ======================= Grid point 29 (15/84) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 17.910 11.265 0.000) 21.158 1.427 ( 19.872 4.810 0.000) 20.446 1.917 ( 0.745 1.676 0.000) 1.834 2.106 ( 1.177 11.923 0.000) 11.981 2.347 ( 12.705 0.382 0.000) 12.711 2.417 ( 4.098 15.677 0.000) 16.204 2.694 ( 13.690 -0.304 0.000) 13.694 2.755 ( 1.798 2.534 0.000) 3.107 3.153 ( 2.944 10.092 0.000) 10.512 3.881 ( 9.074 17.706 0.000) 19.896 4.186 ( 17.220 1.233 0.000) 17.264 4.830 ( -8.092 -4.069 0.000) 9.057 8.183 ( 0.958 -20.341 0.000) 20.363 8.349 ( 15.716 -19.659 0.000) 25.169 8.684 ( -10.906 -12.944 0.000) 16.926 10.125 ( 9.364 -2.694 0.000) 9.743 12.050 ( 3.979 13.749 0.000) 14.313 12.107 ( -12.886 -12.827 0.000) 18.182 12.354 ( 8.482 4.605 0.000) 9.651 12.660 ( -15.894 -19.573 0.000) 25.214 13.048 ( -5.979 -9.436 0.000) 11.171 14.625 ( 14.994 19.571 0.000) 24.655 15.185 ( -8.112 -3.987 0.000) 9.039 16.052 ( -0.837 14.676 0.000) 14.699 ======================= Grid point 30 (16/84) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 18.963 9.460 0.000) 21.191 1.786 ( 15.190 5.115 0.000) 16.028 1.926 ( 0.336 1.728 0.000) 1.760 2.136 ( 2.095 9.990 0.000) 10.208 2.508 ( 5.052 15.837 0.000) 16.624 2.548 ( 7.254 0.678 0.000) 7.285 2.799 ( 3.355 0.725 0.000) 3.433 2.919 ( 8.060 0.836 0.000) 8.104 3.157 ( -1.956 10.178 0.000) 10.364 4.102 ( 12.666 15.905 0.000) 20.332 4.521 ( 15.729 1.525 0.000) 15.802 4.709 ( -3.509 -3.656 0.000) 5.068 8.150 ( -8.433 -5.470 0.000) 10.052 8.606 ( 7.368 -39.775 0.000) 40.452 8.750 ( 23.686 -31.484 0.000) 39.399 10.269 ( 4.571 -16.112 0.000) 16.748 11.839 ( -13.516 -27.378 0.000) 30.533 12.052 ( -5.616 7.911 0.000) 9.701 12.387 ( -9.282 -12.287 0.000) 15.399 12.437 ( -1.551 5.227 0.000) 5.452 12.991 ( 0.970 -8.354 0.000) 8.410 14.888 ( 11.334 21.604 0.000) 24.396 15.034 ( -6.794 0.324 0.000) 6.801 15.997 ( -4.128 20.391 0.000) 20.805 ======================= Grid point 31 (17/84) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.715 1.684 0.000) 1.829 1.991 ( 5.562 10.551 0.000) 11.927 2.054 ( 17.159 8.647 0.000) 19.215 2.202 ( 4.493 6.093 0.000) 7.571 2.605 ( 4.352 17.337 0.000) 17.875 2.644 ( 3.129 3.608 0.000) 4.775 2.878 ( 3.732 -0.646 0.000) 3.787 2.992 ( -0.625 2.373 0.000) 2.454 3.106 ( -2.552 9.087 0.000) 9.439 4.345 ( 10.983 12.660 0.000) 16.760 4.693 ( 1.361 -5.033 0.000) 5.213 4.785 ( 10.578 1.765 0.000) 10.724 7.923 ( -11.532 -1.994 0.000) 11.703 8.903 ( 19.458 -47.773 0.000) 51.584 9.236 ( 24.097 -35.223 0.000) 42.677 10.276 ( -4.320 -29.906 0.000) 30.217 11.575 ( -13.132 -38.808 0.000) 40.969 11.843 ( -12.029 -14.218 0.000) 18.624 12.316 ( -0.254 11.410 0.000) 11.413 12.327 ( -7.524 1.752 0.000) 7.725 13.057 ( 4.157 -8.025 0.000) 9.037 14.925 ( -4.162 5.437 0.000) 6.847 15.067 ( 6.794 22.741 0.000) 23.734 15.911 ( -4.011 23.767 0.000) 24.103 ======================= Grid point 32 (18/84) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.256 1.388 0.000) 1.411 2.046 ( 0.971 12.879 0.000) 12.916 2.276 ( 2.130 4.934 0.000) 5.374 2.335 ( 9.252 8.913 0.000) 12.847 2.666 ( 1.569 19.243 0.000) 19.307 2.687 ( 1.199 6.135 0.000) 6.251 2.923 ( 0.877 -1.166 0.000) 1.459 2.932 ( -3.576 2.150 0.000) 4.173 3.073 ( -0.642 7.986 0.000) 8.012 4.503 ( 4.338 10.493 0.000) 11.354 4.729 ( 1.389 -5.781 0.000) 5.946 4.927 ( 3.703 1.883 0.000) 4.154 7.756 ( -4.610 -3.524 0.000) 5.803 9.270 ( 14.015 -40.934 0.000) 43.266 9.622 ( 12.091 -33.150 0.000) 35.287 10.122 ( -8.437 -46.213 0.000) 46.977 11.352 ( -7.551 -48.222 0.000) 48.809 11.670 ( -4.602 -18.592 0.000) 19.154 12.208 ( -3.509 0.626 0.000) 3.565 12.321 ( 0.309 18.179 0.000) 18.182 13.119 ( 1.712 -9.656 0.000) 9.807 14.871 ( -1.323 9.105 0.000) 9.201 15.156 ( 2.232 23.239 0.000) 23.346 15.853 ( -1.605 25.352 0.000) 25.402 ======================= Grid point 42 (19/84) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 15.452 15.452 0.000) 21.853 1.621 ( 14.084 14.084 0.000) 19.918 1.946 ( 1.040 1.040 0.000) 1.471 2.352 ( 5.929 5.929 0.000) 8.385 2.357 ( 6.876 6.876 0.000) 9.724 2.694 ( 5.678 5.678 0.000) 8.030 2.745 ( 11.824 11.824 0.000) 16.722 2.770 ( 0.393 0.393 0.000) 0.555 3.317 ( 4.645 4.645 0.000) 6.569 4.217 ( 13.327 13.327 0.000) 18.848 4.289 ( 11.818 11.818 0.000) 16.713 4.730 ( -5.715 -5.715 0.000) 8.082 7.846 ( -10.874 -10.874 0.000) 15.378 8.121 ( -2.905 -2.905 0.000) 4.109 8.431 ( -14.718 -14.718 0.000) 20.815 10.040 ( -4.778 -4.778 0.000) 6.757 11.696 ( -22.816 -22.816 0.000) 32.266 12.242 ( -21.886 -21.886 0.000) 30.951 12.299 ( 10.218 10.218 0.000) 14.451 12.535 ( 7.257 7.257 0.000) 10.263 12.872 ( -7.983 -7.983 0.000) 11.290 14.994 ( 17.158 17.158 0.000) 24.265 15.107 ( -3.386 -3.386 0.000) 4.788 16.257 ( 6.239 6.239 0.000) 8.823 ======================= Grid point 43 (20/84) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 16.464 12.771 0.000) 20.837 1.930 ( 15.742 9.829 0.000) 18.559 1.960 ( 1.422 2.088 0.000) 2.526 2.365 ( 0.654 12.161 0.000) 12.178 2.570 ( 9.000 1.429 0.000) 9.113 2.780 ( 5.016 9.816 0.000) 11.023 2.796 ( 2.501 -0.091 0.000) 2.502 2.997 ( 10.739 8.632 0.000) 13.778 3.336 ( -1.752 6.570 0.000) 6.800 4.425 ( 10.200 16.189 0.000) 19.135 4.594 ( 15.259 6.101 0.000) 16.433 4.624 ( -4.378 -4.876 0.000) 6.553 7.796 ( 5.663 -27.605 0.000) 28.180 8.096 ( -18.080 -13.570 0.000) 22.606 8.224 ( 12.569 -20.005 0.000) 23.626 9.935 ( -6.882 -15.927 0.000) 17.350 11.250 ( -22.114 -29.981 0.000) 37.255 11.787 ( -22.838 -24.950 0.000) 33.824 12.473 ( 6.919 10.938 0.000) 12.942 12.529 ( -8.297 2.388 0.000) 8.634 12.800 ( 1.169 -11.372 0.000) 11.432 15.063 ( -0.966 2.784 0.000) 2.947 15.289 ( 12.505 18.353 0.000) 22.208 16.318 ( 0.541 11.949 0.000) 11.961 ======================= Grid point 44 (21/84) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.360 1.717 0.000) 1.754 2.194 ( 9.986 10.125 0.000) 14.221 2.259 ( 16.720 11.835 0.000) 20.485 2.382 ( 1.146 11.102 0.000) 11.161 2.708 ( 5.251 3.060 0.000) 6.078 2.859 ( 3.198 -0.805 0.000) 3.298 2.875 ( 3.681 8.168 0.000) 8.959 3.139 ( 3.495 13.860 0.000) 14.294 3.284 ( -2.821 7.886 0.000) 8.375 4.578 ( -0.257 -6.492 0.000) 6.497 4.615 ( 8.387 14.063 0.000) 16.374 4.851 ( 10.300 5.033 0.000) 11.464 7.730 ( -15.030 -24.460 0.000) 28.709 8.087 ( 20.329 -27.210 0.000) 33.965 8.573 ( 21.107 -29.968 0.000) 36.655 9.711 ( -17.041 -24.894 0.000) 30.168 10.823 ( -20.970 -35.783 0.000) 41.475 11.390 ( -15.900 -28.679 0.000) 32.792 12.317 ( -11.051 -3.236 0.000) 11.515 12.577 ( 3.770 12.024 0.000) 12.601 12.836 ( 1.518 -14.416 0.000) 14.495 15.064 ( 0.750 8.378 0.000) 8.412 15.484 ( 7.319 18.848 0.000) 20.219 16.304 ( -1.440 15.621 0.000) 15.688 ======================= Grid point 45 (22/84) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.185 1.713 0.000) 1.723 2.309 ( 2.129 13.071 0.000) 13.243 2.413 ( 1.538 8.721 0.000) 8.856 2.536 ( 9.545 11.254 0.000) 14.757 2.783 ( 2.205 3.877 0.000) 4.460 2.898 ( -1.102 4.385 0.000) 4.522 2.901 ( 0.894 -0.963 0.000) 1.314 3.161 ( -0.115 20.461 0.000) 20.461 3.243 ( -1.101 8.395 0.000) 8.467 4.593 ( 0.955 -7.833 0.000) 7.891 4.735 ( 3.314 12.509 0.000) 12.941 4.990 ( 3.611 4.523 0.000) 5.787 7.511 ( -6.050 -24.206 0.000) 24.950 8.581 ( 26.597 -26.736 0.000) 37.712 8.956 ( 13.674 -32.801 0.000) 35.537 9.266 ( -25.460 -36.607 0.000) 44.590 10.466 ( -12.330 -39.813 0.000) 41.679 11.187 ( -4.835 -29.938 0.000) 30.326 12.149 ( -4.814 -6.333 0.000) 7.955 12.626 ( 1.204 12.436 0.000) 12.494 12.854 ( 0.403 -16.945 0.000) 16.950 15.080 ( 0.554 11.490 0.000) 11.503 15.580 ( 2.375 18.996 0.000) 19.144 16.279 ( -0.788 17.363 0.000) 17.381 ======================= Grid point 56 (23/84) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.905 0.905 0.000) 1.279 2.162 ( 12.863 12.863 0.000) 18.191 2.204 ( 15.567 15.567 0.000) 22.015 2.571 ( 5.209 5.209 0.000) 7.366 2.614 ( 5.851 5.851 0.000) 8.274 2.812 ( 1.802 1.802 0.000) 2.548 2.914 ( 5.338 5.338 0.000) 7.549 3.229 ( 12.642 12.642 0.000) 17.878 3.406 ( 1.006 1.006 0.000) 1.422 4.524 ( -4.945 -4.945 0.000) 6.994 4.709 ( 11.169 11.169 0.000) 15.795 4.760 ( 10.967 10.967 0.000) 15.510 7.357 ( -16.422 -16.422 0.000) 23.224 7.831 ( -11.945 -11.945 0.000) 16.893 8.001 ( -2.277 -2.277 0.000) 3.220 9.658 ( -13.029 -13.029 0.000) 18.425 10.686 ( -26.906 -26.906 0.000) 38.051 11.248 ( -28.115 -28.115 0.000) 39.760 12.529 ( -7.529 -7.529 0.000) 10.648 12.536 ( -9.476 -9.476 0.000) 13.401 12.657 ( 7.390 7.390 0.000) 10.452 15.142 ( 4.898 4.898 0.000) 6.927 15.599 ( 12.964 12.964 0.000) 18.333 16.479 ( 4.893 4.893 0.000) 6.919 ======================= Grid point 57 (24/84) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 0.587 1.404 0.000) 1.522 2.401 ( 10.326 10.643 0.000) 14.829 2.513 ( 15.149 13.587 0.000) 20.349 2.598 ( 0.349 10.051 0.000) 10.057 2.761 ( 6.280 2.139 0.000) 6.635 2.858 ( 2.363 0.904 0.000) 2.530 2.998 ( 2.544 5.840 0.000) 6.370 3.402 ( -0.837 4.191 0.000) 4.274 3.450 ( 8.961 15.562 0.000) 17.958 4.447 ( -2.441 -6.500 0.000) 6.943 4.880 ( 6.898 12.290 0.000) 14.093 4.975 ( 9.161 7.099 0.000) 11.590 7.073 ( -13.652 -33.472 0.000) 36.148 7.767 ( 8.223 -11.258 0.000) 13.941 8.113 ( 12.074 -15.749 0.000) 19.845 9.343 ( -21.038 -12.865 0.000) 24.660 10.193 ( -22.733 -27.489 0.000) 35.671 10.751 ( -19.955 -35.110 0.000) 40.384 12.214 ( -15.549 -6.555 0.000) 16.874 12.492 ( -2.143 -19.928 0.000) 20.043 12.767 ( 3.919 7.314 0.000) 8.298 15.239 ( 4.482 8.873 0.000) 9.941 15.800 ( 7.417 13.024 0.000) 14.988 16.534 ( 1.146 8.045 0.000) 8.126 ======================= Grid point 58 (25/84) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.239 1.638 0.000) 1.656 2.545 ( 3.892 10.608 0.000) 11.300 2.601 ( -0.014 9.564 0.000) 9.564 2.770 ( 9.512 12.155 0.000) 15.435 2.846 ( 2.226 2.519 0.000) 3.361 2.891 ( 0.815 0.097 0.000) 0.821 2.995 ( -2.477 6.175 0.000) 6.653 3.388 ( -0.413 6.205 0.000) 6.218 3.565 ( 2.667 19.114 0.000) 19.299 4.429 ( 0.089 -8.505 0.000) 8.506 4.977 ( 2.670 11.584 0.000) 11.888 5.100 ( 3.258 6.228 0.000) 7.029 6.858 ( -6.383 -37.368 0.000) 37.909 8.126 ( 24.654 -20.817 0.000) 32.268 8.373 ( 10.289 -25.327 0.000) 27.337 8.818 ( -29.039 -9.068 0.000) 30.422 9.827 ( -11.967 -24.096 0.000) 26.904 10.502 ( -5.665 -38.809 0.000) 39.220 11.979 ( -6.813 -10.233 0.000) 12.293 12.460 ( -0.910 -22.483 0.000) 22.501 12.817 ( 1.216 7.181 0.000) 7.283 15.304 ( 1.771 10.700 0.000) 10.845 15.896 ( 2.378 12.981 0.000) 13.197 16.542 ( 0.056 9.652 0.000) 9.652 ======================= Grid point 70 (26/84) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 0.961 0.961 0.000) 1.360 2.596 ( 8.550 8.550 0.000) 12.091 2.745 ( 3.332 3.332 0.000) 4.713 2.781 ( 13.098 13.098 0.000) 18.524 2.806 ( 3.828 3.828 0.000) 5.414 2.888 ( 1.633 1.633 0.000) 2.310 3.104 ( 4.122 4.122 0.000) 5.829 3.462 ( 2.127 2.127 0.000) 3.008 3.724 ( 11.846 11.846 0.000) 16.753 4.333 ( -4.667 -4.667 0.000) 6.601 5.080 ( 7.493 7.493 0.000) 10.597 5.116 ( 6.845 6.845 0.000) 9.681 6.503 ( -23.708 -23.708 0.000) 33.528 7.663 ( 2.563 2.563 0.000) 3.625 7.950 ( -1.710 -1.710 0.000) 2.418 9.121 ( -12.838 -12.838 0.000) 18.155 9.750 ( -17.100 -17.100 0.000) 24.183 10.074 ( -30.256 -30.256 0.000) 42.789 12.067 ( -13.538 -13.538 0.000) 19.146 12.102 ( -12.311 -12.311 0.000) 17.411 12.874 ( 3.685 3.685 0.000) 5.212 15.396 ( 6.537 6.537 0.000) 9.245 16.000 ( 7.342 7.342 0.000) 10.383 16.640 ( 3.194 3.194 0.000) 4.517 ======================= Grid point 71 (27/84) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 0.355 1.174 0.000) 1.226 2.720 ( 3.819 6.947 0.000) 7.928 2.762 ( -0.337 6.064 0.000) 6.073 2.883 ( 2.545 1.441 0.000) 2.925 2.907 ( 0.147 1.336 0.000) 1.344 3.004 ( 8.506 11.013 0.000) 13.916 3.131 ( -1.595 6.738 0.000) 6.924 3.490 ( 0.766 4.192 0.000) 4.261 3.894 ( 4.612 13.841 0.000) 14.589 4.273 ( -1.390 -6.824 0.000) 6.964 5.177 ( 2.468 8.240 0.000) 8.602 5.219 ( 2.871 5.342 0.000) 6.065 6.169 ( -9.113 -30.215 0.000) 31.559 7.861 ( 13.667 -3.598 0.000) 14.133 7.974 ( 2.016 -14.970 0.000) 15.105 8.759 ( -19.649 0.094 0.000) 19.649 9.523 ( -5.794 -7.205 0.000) 9.246 9.691 ( -8.134 -41.849 0.000) 42.632 11.777 ( -8.910 -9.312 0.000) 12.888 12.001 ( -2.445 -22.587 0.000) 22.719 12.920 ( 1.102 3.477 0.000) 3.647 15.486 ( 2.379 7.375 0.000) 7.749 16.095 ( 2.336 7.271 0.000) 7.637 16.676 ( 0.756 4.305 0.000) 4.370 ======================= Grid point 84 (28/84) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.426 0.426 0.000) 0.602 2.813 ( 2.498 2.498 0.000) 3.533 2.828 ( 0.958 0.958 0.000) 1.354 2.916 ( 1.614 1.614 0.000) 2.283 2.928 ( 0.449 0.449 0.000) 0.635 3.179 ( 5.970 5.970 0.000) 8.443 3.222 ( 1.640 1.640 0.000) 2.319 3.549 ( 1.596 1.596 0.000) 2.257 4.092 ( 5.564 5.564 0.000) 7.868 4.176 ( -2.673 -2.673 0.000) 3.780 5.290 ( 2.873 2.873 0.000) 4.063 5.296 ( 2.279 2.279 0.000) 3.223 5.737 ( -11.900 -11.900 0.000) 16.829 7.779 ( -4.883 -4.883 0.000) 6.905 7.983 ( 12.389 12.389 0.000) 17.520 8.741 ( -5.385 -5.385 0.000) 7.616 8.973 ( -23.036 -23.036 0.000) 32.578 9.482 ( 0.682 0.682 0.000) 0.964 11.635 ( -6.474 -6.474 0.000) 9.155 11.654 ( -8.006 -8.006 0.000) 11.322 12.963 ( 1.007 1.007 0.000) 1.424 15.586 ( 2.610 2.610 0.000) 3.691 16.188 ( 2.308 2.308 0.000) 3.263 16.727 ( 1.149 1.149 0.000) 1.625 ======================= Grid point 169 (29/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -0.000 -0.000 17.410) 17.410 0.386 ( 0.000 0.000 17.410) 17.410 0.629 ( 0.000 0.000 28.076) 28.076 1.610 ( -0.000 -0.000 -10.862) 10.862 1.610 ( 0.000 -0.000 -10.862) 10.862 1.968 ( -0.000 -0.000 4.817) 4.817 1.968 ( 0.000 0.000 4.817) 4.817 2.631 ( 0.000 0.000 -12.753) 12.753 3.145 ( 0.000 0.000 0.475) 0.475 3.145 ( 0.000 0.000 0.475) 0.475 3.698 ( -0.000 0.000 4.213) 4.213 5.684 ( -0.000 0.000 0.033) 0.033 8.150 ( 0.000 0.000 1.386) 1.386 8.150 ( 0.000 0.000 1.386) 1.386 8.633 ( 0.000 0.000 -1.677) 1.677 8.633 ( 0.000 -0.000 -1.677) 1.677 9.184 ( 0.000 -0.000 0.700) 0.700 12.841 ( 0.000 0.000 -0.316) 0.316 13.557 ( 0.000 0.000 -0.561) 0.561 13.557 ( 0.000 0.000 -0.561) 0.561 13.622 ( -0.000 0.000 0.784) 0.784 13.622 ( 0.000 0.000 0.784) 0.784 15.123 ( 0.000 0.000 2.360) 2.360 15.871 ( 0.000 0.000 -0.197) 0.197 ======================= Grid point 170 (30/84) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 7.127 0.000 14.592) 16.239 0.693 ( 23.019 0.000 9.554) 24.923 0.998 ( 32.110 0.000 10.820) 33.884 1.646 ( 3.385 0.000 -10.361) 10.900 1.759 ( 10.090 0.000 -9.057) 13.559 1.979 ( 1.104 0.000 4.636) 4.766 2.018 ( 4.974 0.000 0.501) 4.999 2.434 ( -2.237 0.000 1.198) 2.538 3.136 ( -0.838 0.000 0.435) 0.945 3.223 ( 4.195 0.000 0.158) 4.198 3.691 ( 3.813 0.000 0.378) 3.831 5.503 ( -13.687 0.000 2.877) 13.986 8.275 ( 12.429 0.000 1.327) 12.500 8.757 ( 12.323 0.000 -1.586) 12.425 8.774 ( 11.291 0.000 0.388) 11.297 9.164 ( -0.430 0.000 0.544) 0.693 9.830 ( 84.779 0.000 -52.218) 99.570 12.796 ( -5.120 0.000 0.838) 5.188 13.090 ( -34.335 0.000 34.674) 48.797 13.517 ( -4.116 0.000 -0.430) 4.138 13.595 ( -2.715 0.000 0.648) 2.792 13.681 ( 8.935 0.000 5.276) 10.376 15.119 ( 0.838 0.000 -22.016) 22.032 15.817 ( -5.093 0.000 -0.584) 5.126 ======================= Grid point 171 (31/84) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 15.582 0.000 3.765) 16.031 1.138 ( 20.685 0.000 5.436) 21.388 1.644 ( 29.069 0.000 -0.450) 29.072 1.732 ( 5.065 0.000 -8.760) 10.119 1.891 ( 5.323 0.000 2.276) 5.789 2.012 ( 2.234 0.000 3.900) 4.494 2.210 ( 13.064 0.000 -6.989) 14.815 2.552 ( 11.017 0.000 3.964) 11.709 3.112 ( -1.592 0.000 0.331) 1.626 3.290 ( 3.162 0.000 0.901) 3.288 3.867 ( 13.321 0.000 -2.483) 13.551 5.203 ( -15.405 0.000 2.875) 15.671 8.624 ( 22.298 0.000 1.160) 22.328 8.827 ( -7.995 0.000 4.407) 9.129 9.106 ( 22.501 0.000 -1.327) 22.540 9.340 ( 18.722 0.000 0.078) 18.722 10.957 ( 37.629 0.000 -26.862) 46.233 12.429 ( -25.119 0.000 28.530) 38.012 12.759 ( -4.622 0.000 0.075) 4.622 13.393 ( -8.358 0.000 -0.078) 8.359 13.516 ( -5.202 0.000 0.276) 5.210 13.897 ( 12.023 0.000 7.360) 14.097 15.142 ( 0.688 0.000 -20.970) 20.981 15.675 ( -9.177 0.000 -2.200) 9.437 ======================= Grid point 172 (32/84) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 19.768 0.000 -0.773) 19.783 1.477 ( 13.053 0.000 2.990) 13.391 1.846 ( 6.690 0.000 -5.755) 8.825 1.868 ( 1.656 0.000 -1.640) 2.331 2.064 ( 2.896 0.000 2.559) 3.865 2.243 ( 21.725 0.000 0.396) 21.728 2.432 ( 7.943 0.000 -3.643) 8.738 2.803 ( 13.182 0.000 5.290) 14.204 3.075 ( -2.154 0.000 0.201) 2.164 3.401 ( 9.395 0.000 -0.761) 9.426 4.175 ( 16.857 0.000 -2.490) 17.040 4.937 ( -10.643 0.000 2.388) 10.907 8.568 ( -16.597 0.000 4.582) 17.218 9.126 ( 27.590 0.000 0.923) 27.605 9.622 ( 29.140 0.000 -0.937) 29.156 9.752 ( 20.973 0.000 0.862) 20.991 11.504 ( 19.090 0.000 -8.460) 20.881 12.025 ( -15.236 0.000 11.941) 19.358 12.706 ( -0.375 0.000 -2.637) 2.664 13.186 ( -12.626 0.000 0.354) 12.631 13.391 ( -7.375 0.000 -0.211) 7.378 14.134 ( 11.528 0.000 6.716) 13.342 15.122 ( -3.041 0.000 -9.227) 9.715 15.465 ( -11.583 0.000 -4.428) 12.400 ======================= Grid point 173 (33/84) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 20.648 0.000 -1.156) 20.680 1.652 ( 5.272 0.000 0.620) 5.308 1.888 ( 0.808 0.000 0.167) 0.825 1.998 ( 8.171 0.000 -2.257) 8.477 2.120 ( 2.626 0.000 1.317) 2.938 2.500 ( 1.880 0.000 -2.852) 3.416 2.583 ( 10.608 0.000 -1.020) 10.657 3.019 ( 7.652 0.000 6.474) 10.024 3.029 ( -2.369 0.000 0.091) 2.371 3.667 ( 16.346 0.000 -3.546) 16.726 4.499 ( 15.256 0.000 -1.843) 15.367 4.806 ( -2.409 0.000 1.661) 2.926 8.213 ( -18.357 0.000 1.798) 18.445 9.677 ( 27.275 0.000 0.675) 27.283 10.130 ( 16.729 0.000 0.602) 16.740 10.231 ( 31.935 0.000 -0.480) 31.939 11.629 ( -6.375 0.000 3.463) 7.255 11.927 ( 5.342 0.000 -1.877) 5.662 12.764 ( 6.305 0.000 -3.062) 7.009 12.895 ( -16.875 0.000 0.751) 16.892 13.230 ( -8.745 0.000 -0.716) 8.774 14.341 ( 9.157 0.000 6.155) 11.033 15.012 ( -8.170 0.000 -0.991) 8.230 15.244 ( -10.049 0.000 -6.000) 11.704 ======================= Grid point 174 (34/84) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 1.900 0.000 -0.129) 1.904 1.879 ( 14.098 0.000 0.641) 14.113 1.911 ( 5.501 0.000 0.290) 5.508 2.140 ( 5.330 0.000 -0.610) 5.364 2.166 ( 2.410 0.000 0.452) 2.452 2.495 ( -1.313 0.000 0.684) 1.481 2.723 ( 3.364 0.000 -5.210) 6.202 2.985 ( -1.996 0.000 0.031) 1.996 3.097 ( 0.906 0.000 7.175) 7.232 3.978 ( 13.566 0.000 -6.649) 15.108 4.756 ( 10.256 0.000 -1.063) 10.311 4.826 ( 3.508 0.000 1.969) 4.023 7.881 ( -14.381 0.000 -2.727) 14.637 10.163 ( 20.881 0.000 0.493) 20.886 10.400 ( 10.413 0.000 0.500) 10.425 10.861 ( 31.283 0.000 -0.067) 31.283 11.483 ( -6.327 0.000 -0.909) 6.392 12.025 ( 3.333 0.000 0.635) 3.393 12.521 ( -20.875 0.000 1.048) 20.901 12.929 ( 9.156 0.000 -1.509) 9.280 13.059 ( -8.061 0.000 -1.160) 8.144 14.488 ( 5.629 0.000 6.262) 8.420 14.824 ( -9.614 0.000 0.082) 9.615 15.081 ( -6.448 0.000 -4.128) 7.656 ======================= Grid point 175 (35/84) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.501 0.000 -0.177) 0.531 1.913 ( 0.352 0.000 0.353) 0.498 2.182 ( 0.633 0.000 0.297) 0.700 2.199 ( 10.691 0.000 4.070) 11.440 2.230 ( 2.120 0.000 -0.379) 2.154 2.462 ( -1.822 0.000 1.187) 2.174 2.729 ( -1.560 0.000 -8.221) 8.368 2.956 ( -0.818 0.000 0.017) 0.818 3.095 ( -0.361 0.000 7.007) 7.016 4.166 ( 4.979 0.000 -8.845) 10.150 4.888 ( 2.917 0.000 2.173) 3.638 4.901 ( 3.001 0.000 0.147) 3.005 7.678 ( -5.477 0.000 -6.124) 8.216 10.460 ( 8.111 0.000 0.420) 8.122 10.537 ( 3.464 0.000 0.844) 3.565 11.398 ( -2.159 0.000 -3.436) 4.058 11.437 ( 25.039 0.000 -0.018) 25.039 12.064 ( 0.897 0.000 1.887) 2.089 12.087 ( -21.336 0.000 1.403) 21.382 12.937 ( -3.550 0.000 -1.443) 3.832 13.073 ( 4.309 0.000 0.223) 4.315 14.562 ( 1.971 0.000 6.371) 6.669 14.677 ( -4.443 0.000 -0.901) 4.533 14.992 ( -2.370 0.000 -2.346) 3.334 ======================= Grid point 183 (36/84) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 6.170 6.170 10.640) 13.760 0.667 ( 10.998 10.998 10.205) 18.603 1.362 ( 25.154 25.154 5.556) 36.005 1.733 ( 5.607 5.607 -10.368) 13.053 1.795 ( 4.478 4.478 -4.128) 7.559 2.052 ( 4.461 4.461 4.182) 7.569 2.063 ( 6.246 6.246 -4.126) 9.750 2.434 ( 2.757 2.757 1.973) 4.369 3.114 ( -2.922 -2.922 0.161) 4.135 3.302 ( 7.635 7.635 0.610) 10.815 3.713 ( 3.138 3.138 -0.749) 4.500 5.399 ( -9.716 -9.716 2.965) 14.057 8.175 ( 1.039 1.039 1.627) 2.192 8.545 ( -4.556 -4.556 -0.613) 6.473 9.119 ( -3.379 -3.379 0.827) 4.850 9.180 ( 22.492 22.492 0.736) 31.816 10.516 ( 45.390 45.390 -40.455) 75.876 12.747 ( -5.096 -5.096 -0.988) 7.274 12.829 ( -21.472 -21.472 38.950) 49.389 13.411 ( -7.388 -7.388 -0.142) 10.449 13.496 ( -5.990 -5.990 0.641) 8.496 13.829 ( 11.047 11.047 6.523) 16.929 15.225 ( 6.354 6.354 -26.110) 27.613 15.782 ( -3.199 -3.199 -2.001) 4.947 ======================= Grid point 184 (37/84) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 14.821 6.687 2.341) 16.427 1.047 ( 22.299 -3.304 6.124) 23.360 1.769 ( 8.926 10.843 -3.537) 14.483 1.843 ( 5.597 5.176 -2.996) 8.192 1.935 ( 14.728 6.057 0.732) 15.942 2.132 ( 4.253 9.357 3.348) 10.810 2.270 ( 13.484 6.972 -7.503) 16.932 2.576 ( 10.415 3.224 3.813) 11.550 3.058 ( -2.262 -3.184 -0.202) 3.911 3.439 ( 5.382 12.400 0.706) 13.536 3.863 ( 12.520 -0.040 -2.021) 12.682 5.160 ( -13.295 -4.350 2.908) 14.288 8.383 ( 18.267 -16.482 1.350) 24.640 8.564 ( 4.128 -18.818 1.564) 19.328 9.012 ( -5.018 -4.273 0.593) 6.618 9.647 ( 23.404 18.577 1.869) 29.939 11.255 ( 29.299 23.967 -20.157) 42.885 12.395 ( -19.079 -2.962 24.295) 31.032 12.647 ( -5.691 -10.578 -0.600) 12.027 13.245 ( -9.754 -12.183 0.437) 15.613 13.381 ( -6.084 -9.903 0.439) 11.631 14.070 ( 12.807 14.010 7.014) 20.236 15.285 ( -0.605 7.927 -15.385) 17.318 15.702 ( -4.760 4.276 -6.759) 9.307 ======================= Grid point 185 (38/84) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 19.312 5.399 -0.912) 20.073 1.455 ( 17.725 -1.850 3.400) 18.143 1.862 ( 3.148 4.744 -4.847) 7.478 1.899 ( 2.380 2.304 -0.293) 3.326 2.162 ( 4.611 9.657 1.864) 10.862 2.343 ( 15.729 3.996 1.571) 16.305 2.508 ( 8.894 9.269 -5.847) 14.114 2.798 ( 11.209 -0.376 4.954) 12.261 3.035 ( -0.094 -1.409 -1.024) 1.744 3.559 ( 8.470 13.694 -0.348) 16.106 4.169 ( 17.071 -0.417 -1.938) 17.185 4.918 ( -10.207 -1.930 2.362) 10.653 8.517 ( -11.269 -6.699 4.378) 13.821 8.834 ( 26.132 -24.555 0.941) 35.871 9.083 ( 13.886 -29.162 -0.872) 32.311 10.086 ( 20.697 10.956 1.207) 23.449 11.697 ( 15.066 16.402 -5.336) 22.902 12.099 ( -10.236 6.923 8.512) 15.005 12.554 ( -2.980 -14.492 -2.913) 15.079 13.019 ( -13.118 -14.633 0.882) 19.672 13.252 ( -6.782 -10.516 0.147) 12.514 14.320 ( 12.204 16.089 6.062) 21.084 15.208 ( -6.790 2.631 -3.350) 8.016 15.597 ( -5.728 14.884 -9.294) 18.459 ======================= Grid point 186 (39/84) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 20.348 4.647 -1.007) 20.896 1.711 ( 8.008 4.926 1.372) 9.501 1.897 ( 0.953 1.237 -0.179) 1.572 1.990 ( 6.810 0.946 -2.323) 7.257 2.236 ( 3.272 11.161 1.166) 11.689 2.555 ( 3.843 1.532 1.265) 4.326 2.648 ( 7.755 8.331 -4.294) 12.165 2.961 ( 3.259 -3.395 1.546) 4.953 3.055 ( 2.754 1.544 2.743) 4.183 3.793 ( 14.377 11.682 -2.727) 18.725 4.498 ( 15.489 0.030 -1.433) 15.556 4.786 ( -2.786 -1.958 1.654) 3.786 8.214 ( -17.197 -0.250 1.820) 17.295 9.373 ( 27.432 -27.448 0.671) 38.812 9.449 ( 20.702 -42.400 0.186) 47.185 10.459 ( 16.986 -0.623 -0.562) 17.007 11.795 ( -2.956 15.136 3.557) 15.826 12.038 ( 2.186 6.831 -1.403) 7.308 12.534 ( -0.343 -19.146 -3.456) 19.458 12.729 ( -16.097 -14.900 1.181) 21.966 13.137 ( -3.740 -6.907 -0.381) 7.864 14.540 ( 9.719 17.565 5.535) 20.824 15.038 ( -9.725 0.563 0.289) 9.745 15.479 ( -6.101 21.451 -6.914) 23.349 ======================= Grid point 187 (40/84) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 2.441 7.889 -0.037) 8.258 1.903 ( 4.854 1.659 0.623) 5.167 1.938 ( 14.426 3.613 0.421) 14.877 2.129 ( 6.088 -0.257 -1.370) 6.245 2.290 ( 2.093 12.055 0.147) 12.236 2.575 ( -0.275 6.027 1.790) 6.293 2.770 ( 3.460 5.047 -4.939) 7.863 2.961 ( -1.303 -1.688 -0.758) 2.263 3.095 ( 0.216 -0.125 5.916) 5.921 4.070 ( 12.297 8.928 -5.431) 16.137 4.758 ( 10.239 0.299 -0.769) 10.272 4.799 ( 3.310 -2.731 1.854) 4.674 7.895 ( -13.994 1.161 -2.435) 14.252 9.834 ( 17.145 -43.102 0.664) 46.392 9.879 ( 22.404 -26.421 0.573) 34.646 10.752 ( 12.532 -17.555 -1.837) 21.648 11.744 ( -0.612 19.404 0.925) 19.436 12.075 ( 1.574 -1.400 0.190) 2.115 12.380 ( -17.319 -11.926 0.951) 21.050 12.480 ( -7.283 -26.921 -1.084) 27.910 13.140 ( 3.572 -0.655 -0.808) 3.721 14.695 ( 5.786 18.096 5.446) 19.764 14.852 ( -8.258 2.903 0.247) 8.757 15.366 ( -5.011 24.316 -4.089) 25.161 ======================= Grid point 188 (41/84) ======================= q-point: ( 0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.565 8.371 -0.187) 8.392 1.920 ( 0.303 0.746 0.326) 0.869 2.210 ( 2.076 -0.072 -1.098) 2.350 2.240 ( 10.659 4.226 3.643) 12.031 2.318 ( 0.678 12.397 -0.440) 12.423 2.557 ( -1.503 7.676 1.286) 7.927 2.782 ( -1.240 5.485 -6.338) 8.473 2.940 ( -0.621 -1.440 -0.795) 1.758 3.084 ( -0.539 -0.851 5.909) 5.994 4.242 ( 4.591 7.479 -7.320) 11.428 4.858 ( 2.234 -3.167 2.724) 4.737 4.903 ( 3.636 0.446 -0.403) 3.685 7.697 ( -5.376 1.556 -5.594) 7.912 10.077 ( 6.620 -37.227 0.521) 37.814 10.207 ( 9.313 -23.478 0.502) 25.263 10.935 ( 5.233 -35.042 -2.192) 35.498 11.806 ( 7.593 15.012 0.240) 16.824 12.042 ( -15.356 -0.155 0.776) 15.376 12.120 ( 2.631 0.000 1.218) 2.899 12.320 ( -6.965 -38.679 -0.444) 39.303 13.216 ( 2.674 0.299 -0.299) 2.707 14.719 ( -2.807 5.264 -0.851) 6.026 14.784 ( 1.363 18.747 6.046) 19.745 15.294 ( -1.965 25.563 -2.705) 25.781 ======================= Grid point 197 (42/84) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 13.325 13.325 0.100) 18.845 1.140 ( 12.662 12.662 5.890) 18.851 1.898 ( 1.891 1.891 0.623) 2.746 1.997 ( 7.289 7.289 -7.869) 12.969 2.074 ( 10.277 10.277 1.881) 14.656 2.329 ( 9.375 9.375 1.781) 13.378 2.439 ( 9.702 9.702 -2.106) 13.882 2.696 ( 7.076 7.076 1.765) 10.162 3.031 ( 1.287 1.287 -2.904) 3.427 3.708 ( 12.299 12.299 0.736) 17.408 3.906 ( 6.808 6.808 -1.368) 9.725 5.033 ( -8.243 -8.243 2.799) 11.988 8.200 ( -0.330 -0.330 1.617) 1.683 8.272 ( -8.974 -8.974 1.225) 12.750 8.895 ( -8.332 -8.332 0.761) 11.808 9.955 ( 12.367 12.367 3.483) 17.833 11.723 ( 21.301 21.301 -9.931) 31.719 12.339 ( -2.561 -2.561 13.947) 14.410 12.392 ( -13.473 -13.473 -2.122) 19.171 12.975 ( -14.700 -14.700 0.535) 20.796 13.201 ( -8.198 -8.198 0.712) 11.615 14.374 ( 15.965 15.965 6.069) 23.380 15.308 ( -4.199 -4.199 -3.479) 6.882 15.845 ( 7.572 7.572 -12.910) 16.773 ======================= Grid point 198 (43/84) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 17.756 11.434 -0.850) 21.136 1.471 ( 18.634 4.976 3.915) 19.680 1.924 ( 0.736 1.737 0.627) 1.988 2.059 ( 1.895 12.165 -4.528) 13.118 2.324 ( 11.499 2.306 -0.605) 11.744 2.464 ( 6.170 12.983 2.884) 14.661 2.671 ( 10.760 4.810 -1.506) 11.882 2.787 ( 3.922 -0.878 2.547) 4.758 3.098 ( 3.662 7.744 -4.803) 9.820 3.881 ( 8.255 17.957 -0.014) 19.763 4.177 ( 17.433 1.873 -0.749) 17.550 4.858 ( -8.553 -4.166 2.273) 9.782 8.214 ( 2.012 -21.831 2.355) 22.049 8.361 ( 15.139 -19.549 1.166) 24.753 8.685 ( -11.717 -12.158 0.077) 16.885 10.150 ( 7.772 -2.671 2.079) 8.477 12.026 ( 4.237 10.351 -1.673) 11.309 12.119 ( -8.754 -11.162 0.575) 14.197 12.353 ( 2.837 5.754 0.117) 6.416 12.674 ( -15.271 -19.584 1.046) 24.856 13.055 ( -6.218 -9.264 0.601) 11.173 14.679 ( 14.533 18.930 4.910) 24.365 15.185 ( -7.332 -3.342 -0.012) 8.058 15.939 ( 1.766 16.087 -9.707) 18.871 ======================= Grid point 199 (44/84) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 19.418 9.745 -0.579) 21.734 1.808 ( 14.242 5.394 2.073) 15.370 1.932 ( 0.330 1.757 0.581) 1.880 2.101 ( 2.619 10.115 -3.221) 10.934 2.482 ( 5.204 9.040 -0.666) 10.452 2.604 ( 6.809 7.229 3.385) 10.492 2.780 ( 3.571 2.411 -1.579) 4.589 2.927 ( 6.695 0.784 0.638) 6.771 3.133 ( 0.078 7.020 -2.173) 7.349 4.082 ( 11.606 16.555 -1.541) 20.277 4.514 ( 15.849 2.076 -0.524) 15.993 4.730 ( -3.708 -3.632 1.656) 5.448 8.176 ( -10.842 -5.090 2.087) 12.158 8.595 ( 8.956 -40.687 -0.796) 41.669 8.762 ( 23.100 -31.405 0.868) 38.995 10.262 ( 3.187 -15.978 -0.544) 16.302 11.820 ( -13.117 -27.284 -1.544) 30.312 12.082 ( -7.021 6.163 2.612) 9.700 12.377 ( -3.995 -3.859 -1.237) 5.691 12.445 ( -4.831 -1.149 0.798) 5.030 12.988 ( 0.346 -8.336 -0.211) 8.346 14.930 ( 9.732 19.219 3.817) 21.878 15.046 ( -5.416 1.954 0.928) 5.832 15.928 ( -2.298 21.182 -5.941) 22.119 ======================= Grid point 200 (45/84) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.615 1.673 0.451) 1.839 1.997 ( 4.884 11.006 0.518) 12.052 2.059 ( 17.821 8.245 0.339) 19.639 2.178 ( 5.057 5.999 -2.056) 8.111 2.558 ( 2.647 11.152 -1.879) 11.615 2.706 ( 3.834 9.352 3.386) 10.660 2.859 ( 3.559 0.958 -1.636) 4.032 2.981 ( -0.801 5.051 -0.932) 5.198 3.117 ( -1.563 3.843 0.876) 4.241 4.303 ( 9.860 13.908 -3.185) 17.344 4.718 ( 1.937 -5.054 1.779) 5.697 4.781 ( 10.697 2.057 -0.310) 10.898 7.902 ( -13.527 -1.558 -1.736) 13.726 8.910 ( 19.672 -47.826 0.522) 51.717 9.243 ( 23.980 -35.268 0.562) 42.652 10.253 ( -4.565 -29.635 -1.894) 30.045 11.564 ( -12.667 -38.414 -0.835) 40.457 11.856 ( -12.357 -14.583 1.051) 19.143 12.313 ( -4.101 4.566 0.112) 6.138 12.352 ( -3.399 8.956 1.579) 9.708 13.049 ( 4.223 -8.006 -0.648) 9.074 14.915 ( -4.239 5.601 -0.521) 7.044 15.126 ( 6.622 21.641 4.764) 23.127 15.870 ( -3.044 24.113 -3.630) 24.574 ======================= Grid point 201 (46/84) ======================= q-point: ( 0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.199 1.407 0.302) 1.453 2.044 ( 0.843 12.861 -0.190) 12.890 2.255 ( 2.230 4.820 -1.650) 5.561 2.360 ( 10.313 7.897 2.099) 13.157 2.589 ( 0.492 11.094 -3.580) 11.668 2.755 ( 0.777 14.345 3.071) 14.691 2.898 ( 0.784 0.375 -2.005) 2.186 2.933 ( -2.818 5.133 -0.115) 5.857 3.087 ( -0.853 2.833 1.089) 3.153 4.442 ( 3.737 12.127 -4.313) 13.403 4.766 ( 1.879 -5.921 2.391) 6.657 4.926 ( 3.763 2.056 -0.150) 4.291 7.707 ( -5.393 -2.219 -4.025) 7.086 9.274 ( 13.740 -41.069 0.313) 43.307 9.627 ( 12.026 -33.272 0.423) 35.381 10.102 ( -8.065 -46.096 -1.630) 46.824 11.350 ( -7.268 -47.509 -0.135) 48.062 11.679 ( -4.736 -18.714 0.672) 19.316 12.214 ( -3.295 0.138 0.530) 3.340 12.336 ( -0.007 18.547 1.155) 18.583 13.113 ( 1.793 -9.796 -0.462) 9.969 14.859 ( -1.428 9.073 -1.012) 9.240 15.214 ( 2.250 22.367 4.966) 23.022 15.824 ( -1.312 25.493 -2.637) 25.662 ======================= Grid point 211 (47/84) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 15.710 15.710 -0.485) 22.223 1.662 ( 13.608 13.608 3.634) 19.585 1.951 ( 0.973 0.973 0.477) 1.456 2.288 ( 7.249 7.249 -5.888) 11.823 2.362 ( 5.650 5.650 0.908) 8.041 2.731 ( 5.089 5.089 2.347) 7.570 2.759 ( 11.926 11.926 0.978) 16.894 2.773 ( 0.673 0.673 1.446) 1.732 3.244 ( 5.034 5.034 -6.448) 9.605 4.224 ( 13.238 13.238 0.569) 18.730 4.281 ( 11.801 11.801 -0.658) 16.702 4.756 ( -5.919 -5.919 2.034) 8.615 7.858 ( -11.364 -11.364 0.904) 16.096 8.133 ( -3.163 -3.163 1.067) 4.599 8.439 ( -14.693 -14.693 0.568) 20.786 10.055 ( -5.618 -5.618 1.280) 8.047 11.674 ( -22.429 -22.429 -1.758) 31.767 12.249 ( -22.034 -22.034 0.531) 31.165 12.323 ( 10.555 10.555 1.896) 15.046 12.522 ( 6.833 6.833 -1.021) 9.718 12.881 ( -8.038 -8.038 0.738) 11.392 15.028 ( 14.148 14.148 3.155) 20.255 15.121 ( -0.867 -0.867 1.119) 1.660 16.177 ( 7.927 7.927 -6.884) 13.155 ======================= Grid point 212 (48/84) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 17.019 13.290 0.007) 21.593 1.959 ( 14.511 9.828 2.271) 17.672 1.965 ( 1.592 2.022 0.606) 2.644 2.334 ( 1.118 12.384 -3.059) 12.805 2.545 ( 8.822 1.134 -1.426) 9.008 2.776 ( 2.094 0.493 -1.388) 2.560 2.831 ( 4.848 8.235 4.003) 10.360 3.011 ( 10.641 9.069 1.087) 14.023 3.283 ( -0.532 6.441 -4.763) 8.028 4.417 ( 9.460 16.699 -0.607) 19.202 4.592 ( 15.135 5.738 -0.063) 16.186 4.647 ( -4.199 -4.526 1.668) 6.395 7.800 ( 5.095 -29.088 0.262) 29.532 8.095 ( -17.428 -12.643 0.113) 21.532 8.236 ( 11.585 -20.167 0.842) 23.273 9.934 ( -7.625 -15.473 -0.084) 17.250 11.238 ( -21.580 -29.490 -0.998) 36.556 11.792 ( -22.838 -25.404 0.447) 34.163 12.469 ( 0.768 6.870 -0.344) 6.921 12.554 ( -1.538 6.530 1.997) 7.000 12.797 ( 0.471 -11.306 -0.228) 11.318 15.057 ( -1.142 2.692 -0.258) 2.936 15.333 ( 12.146 17.577 3.533) 21.655 16.267 ( 1.756 12.857 -4.378) 13.695 ======================= Grid point 213 (49/84) ======================= q-point: ( 0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.325 1.748 0.453) 1.835 2.203 ( 9.340 10.292 0.999) 13.934 2.264 ( 16.520 12.107 0.324) 20.484 2.360 ( 1.805 11.308 -1.982) 11.621 2.679 ( 4.891 3.586 -1.817) 6.331 2.832 ( 3.049 -0.088 -2.118) 3.714 2.920 ( 3.419 5.748 3.489) 7.544 3.154 ( 3.657 14.282 1.118) 14.785 3.252 ( -1.993 7.668 -2.858) 8.423 4.573 ( 3.438 4.525 -0.310) 5.691 4.622 ( 4.394 3.779 0.486) 5.816 4.851 ( 10.322 5.093 0.020) 11.510 7.717 ( -15.262 -23.764 -1.094) 28.264 8.091 ( 19.784 -27.854 0.324) 34.167 8.578 ( 20.931 -30.062 0.452) 36.634 9.699 ( -17.431 -23.999 -1.010) 29.678 10.822 ( -20.385 -35.273 -0.083) 40.740 11.398 ( -15.736 -28.932 0.610) 32.940 12.310 ( -10.573 -3.337 -0.519) 11.099 12.607 ( 3.118 11.955 2.366) 12.579 12.828 ( 1.469 -14.331 -0.665) 14.421 15.052 ( 0.488 8.139 -0.875) 8.200 15.525 ( 7.250 18.033 3.375) 19.726 16.271 ( -0.770 16.115 -2.816) 16.377 ======================= Grid point 214 (50/84) ======================= q-point: ( 0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.155 1.803 0.388) 1.851 2.305 ( 1.762 13.007 -0.234) 13.128 2.397 ( 1.773 9.294 -1.264) 9.545 2.546 ( 9.784 10.739 0.781) 14.549 2.740 ( 1.015 5.712 -2.889) 6.481 2.876 ( 1.146 -0.468 -2.059) 2.403 2.945 ( -0.632 1.828 3.367) 3.882 3.177 ( -0.148 20.279 1.246) 20.318 3.222 ( -0.774 8.562 -1.872) 8.799 4.606 ( 1.143 -5.965 1.193) 6.190 4.722 ( 3.109 11.410 -1.223) 11.889 4.991 ( 3.618 4.573 0.043) 5.831 7.493 ( -6.216 -22.609 -1.514) 23.497 8.578 ( 26.503 -27.356 -0.259) 38.090 8.958 ( 13.502 -33.008 0.164) 35.663 9.249 ( -25.667 -36.188 -1.387) 44.388 10.476 ( -11.933 -39.261 0.777) 41.042 11.197 ( -4.760 -29.782 0.828) 30.171 12.146 ( -4.749 -6.724 -0.220) 8.235 12.648 ( 1.015 12.744 1.764) 12.905 12.846 ( 0.383 -17.062 -0.694) 17.081 15.065 ( 0.465 11.264 -1.240) 11.341 15.619 ( 2.366 18.071 3.388) 18.538 16.254 ( -0.580 17.698 -2.115) 17.833 ======================= Grid point 225 (51/84) ======================= q-point: ( 0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.960 0.960 0.489) 1.443 2.190 ( 12.647 12.647 2.512) 18.061 2.208 ( 15.762 15.762 0.345) 22.293 2.559 ( 6.356 6.356 -4.662) 10.126 2.568 ( 4.925 4.925 -0.131) 6.967 2.792 ( 1.700 1.700 -1.744) 2.970 2.948 ( 4.727 4.727 3.056) 7.350 3.248 ( 12.605 12.605 1.412) 17.882 3.362 ( 1.835 1.835 -3.822) 4.620 4.542 ( -4.981 -4.981 1.476) 7.197 4.712 ( 11.059 11.059 0.230) 15.641 4.754 ( 10.961 10.961 -0.525) 15.511 7.349 ( -16.463 -16.463 -0.644) 23.290 7.832 ( -12.428 -12.428 0.096) 17.576 8.008 ( -2.430 -2.430 0.575) 3.484 9.667 ( -12.564 -12.564 0.764) 17.784 10.684 ( -26.381 -26.381 -0.169) 37.308 11.247 ( -28.266 -28.266 -0.064) 39.974 12.497 ( -6.446 -6.446 -2.094) 9.354 12.540 ( -9.676 -9.676 0.318) 13.688 12.702 ( 6.329 6.329 3.130) 9.482 15.131 ( 4.571 4.571 -0.828) 6.517 15.632 ( 12.521 12.521 2.657) 17.905 16.444 ( 5.624 5.624 -2.943) 8.481 ======================= Grid point 226 (52/84) ======================= q-point: ( 0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 0.612 1.508 0.573) 1.725 2.417 ( 9.547 11.013 1.585) 14.661 2.520 ( 15.236 13.652 0.632) 20.467 2.582 ( 0.842 10.427 -1.560) 10.576 2.732 ( 6.589 1.944 -2.287) 7.241 2.839 ( 2.653 1.265 -1.614) 3.353 3.021 ( 2.057 5.395 1.980) 6.105 3.374 ( -0.157 4.571 -2.399) 5.165 3.465 ( 8.670 15.274 1.145) 17.600 4.462 ( -2.612 -6.692 1.227) 7.288 4.876 ( 6.702 12.658 -0.326) 14.327 4.974 ( 9.303 6.975 -0.076) 11.628 7.071 ( -13.247 -33.088 -0.157) 35.641 7.755 ( 7.632 -12.056 -0.984) 14.303 8.116 ( 11.844 -15.851 0.298) 19.789 9.354 ( -21.318 -11.463 0.964) 24.223 10.202 ( -22.182 -27.036 0.695) 34.978 10.754 ( -19.445 -35.343 0.210) 40.340 12.204 ( -15.448 -6.721 -0.793) 16.865 12.481 ( -2.119 -19.839 -0.805) 19.968 12.800 ( 3.528 7.236 2.574) 8.452 15.222 ( 4.232 8.555 -1.389) 9.645 15.826 ( 7.167 12.360 2.126) 14.445 16.510 ( 1.596 8.510 -1.947) 8.874 ======================= Grid point 227 (53/84) ======================= q-point: ( 0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 0.234 1.775 0.584) 1.884 2.543 ( 2.875 10.810 -0.195) 11.188 2.598 ( 0.796 10.192 -0.122) 10.224 2.776 ( 9.220 12.254 0.453) 15.342 2.821 ( 2.303 2.547 -2.084) 4.017 2.879 ( 1.133 0.900 -0.973) 1.743 3.014 ( -2.307 5.942 1.596) 6.570 3.369 ( -0.180 6.212 -1.578) 6.412 3.574 ( 2.455 18.598 0.698) 18.773 4.441 ( 0.035 -8.985 1.038) 9.045 4.972 ( 2.638 12.061 -0.472) 12.355 5.100 ( 3.282 6.193 0.033) 7.009 6.861 ( -6.271 -36.741 0.250) 37.273 8.106 ( 24.133 -21.717 -1.666) 32.508 8.371 ( 9.996 -25.539 -0.170) 27.426 8.824 ( -28.953 -7.520 0.457) 29.917 9.846 ( -11.540 -23.695 1.541) 26.400 10.516 ( -5.283 -38.634 1.115) 39.009 11.970 ( -6.797 -10.444 -0.715) 12.482 12.449 ( -0.923 -22.544 -0.879) 22.580 12.844 ( 1.083 7.383 2.225) 7.786 15.283 ( 1.684 10.383 -1.710) 10.657 15.918 ( 2.295 12.171 1.889) 12.529 16.525 ( 0.205 10.011 -1.459) 10.119 ======================= Grid point 239 (54/84) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 1.032 1.032 0.725) 1.630 2.613 ( 8.167 8.167 1.551) 11.653 2.735 ( 3.567 3.567 -0.715) 5.095 2.781 ( 4.773 4.773 -2.215) 7.104 2.793 ( 12.981 12.981 0.894) 18.379 2.878 ( 2.243 2.243 -0.867) 3.289 3.123 ( 4.064 4.064 1.593) 5.964 3.439 ( 2.274 2.274 -1.946) 3.759 3.731 ( 11.328 11.328 0.482) 16.028 4.342 ( -5.082 -5.082 0.710) 7.222 5.080 ( 7.486 7.486 0.006) 10.586 5.114 ( 6.986 6.986 -0.117) 9.881 6.508 ( -23.350 -23.350 0.452) 33.024 7.638 ( 2.093 2.093 -2.044) 3.597 7.950 ( -2.025 -2.025 -0.053) 2.865 9.155 ( -12.245 -12.245 2.828) 17.546 9.767 ( -16.740 -16.740 1.395) 23.716 10.075 ( -29.889 -29.889 0.096) 42.270 12.049 ( -13.388 -13.388 -1.396) 18.984 12.097 ( -12.521 -12.521 -0.403) 17.712 12.905 ( 3.622 3.622 2.545) 5.720 15.372 ( 6.287 6.287 -1.898) 9.092 16.015 ( 6.904 6.904 1.212) 9.839 16.625 ( 3.513 3.513 -1.268) 5.127 ======================= Grid point 240 (55/84) ======================= q-point: ( 0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.373 1.287 0.795) 1.558 2.722 ( 2.579 7.028 -0.098) 7.487 2.764 ( 0.795 5.772 0.527) 5.851 2.867 ( 2.591 2.795 -1.389) 4.057 2.909 ( 0.760 1.836 0.210) 1.999 3.015 ( 8.242 11.408 0.891) 14.102 3.152 ( -1.221 6.887 1.796) 7.222 3.469 ( 0.782 4.011 -1.834) 4.480 3.891 ( 4.333 13.212 -0.239) 13.907 4.274 ( -1.663 -7.497 0.076) 7.679 5.177 ( 2.519 8.398 0.032) 8.768 5.219 ( 2.898 5.412 0.050) 6.139 6.179 ( -8.965 -29.985 0.891) 31.309 7.828 ( 13.205 -4.054 -2.691) 14.073 7.967 ( 1.739 -15.223 -0.594) 15.334 8.792 ( -19.752 1.251 2.697) 19.974 9.546 ( -5.558 -7.796 1.957) 9.772 9.710 ( -7.297 -40.859 1.497) 41.533 11.766 ( -8.858 -9.380 -0.950) 12.937 11.989 ( -2.512 -22.584 -0.931) 22.742 12.950 ( 1.070 3.573 2.484) 4.481 15.459 ( 2.287 7.116 -2.205) 7.793 16.104 ( 2.183 6.720 0.736) 7.104 16.665 ( 0.868 4.566 -0.907) 4.735 ======================= Grid point 253 (56/84) ======================= q-point: ( 0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.467 0.467 0.919) 1.132 2.814 ( 2.245 2.245 -0.055) 3.176 2.824 ( 1.124 1.124 -0.330) 1.623 2.924 ( 2.115 2.115 0.811) 3.099 2.938 ( 0.764 0.764 0.888) 1.399 3.197 ( 6.175 6.175 1.521) 8.864 3.246 ( 1.789 1.789 2.089) 3.282 3.526 ( 1.544 1.544 -2.107) 3.035 4.079 ( 5.241 5.241 -1.110) 7.495 4.165 ( -3.125 -3.125 -0.952) 4.521 5.292 ( 2.942 2.942 0.178) 4.164 5.298 ( 2.323 2.323 0.200) 3.291 5.750 ( -11.846 -11.846 1.108) 16.790 7.767 ( -4.999 -4.999 -0.962) 7.135 7.939 ( 11.392 11.392 -3.665) 16.522 8.789 ( -5.237 -5.237 4.015) 8.424 8.996 ( -21.735 -21.735 2.125) 30.811 9.512 ( 0.684 0.684 2.353) 2.544 11.623 ( -6.393 -6.393 -1.035) 9.101 11.643 ( -8.085 -8.085 -0.899) 11.470 12.994 ( 1.032 1.032 2.589) 2.972 15.555 ( 2.512 2.512 -2.511) 4.351 16.190 ( 2.113 2.113 0.116) 2.990 16.720 ( 1.243 1.243 -0.604) 1.859 ======================= Grid point 338 (57/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -0.000 -0.000 10.094) 10.094 0.696 ( -0.000 -0.000 10.094) 10.094 1.117 ( 0.000 0.000 15.144) 15.144 1.392 ( 0.000 0.000 -7.915) 7.915 1.392 ( 0.000 0.000 -7.915) 7.915 2.035 ( 0.000 0.000 1.569) 1.569 2.035 ( -0.000 -0.000 1.569) 1.569 2.349 ( -0.000 0.000 -10.498) 10.498 3.154 ( 0.000 0.000 0.292) 0.292 3.154 ( 0.000 0.000 0.292) 0.292 3.771 ( 0.000 0.000 2.007) 2.007 5.685 ( 0.000 0.000 0.021) 0.021 8.180 ( 0.000 0.000 0.997) 0.997 8.180 ( 0.000 0.000 0.997) 0.997 8.598 ( 0.000 0.000 -1.176) 1.176 8.598 ( 0.000 0.000 -1.176) 1.176 9.197 ( 0.000 0.000 0.434) 0.434 12.834 ( 0.000 0.000 -0.197) 0.197 13.548 ( -0.000 0.000 -0.240) 0.240 13.548 ( -0.000 -0.000 -0.240) 0.240 13.635 ( 0.000 0.000 0.378) 0.378 13.635 ( 0.000 0.000 0.378) 0.378 15.171 ( 0.000 0.000 1.514) 1.514 15.866 ( 0.000 0.000 -0.180) 0.180 ======================= Grid point 339 (58/84) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -1.849 0.000 14.837) 14.952 0.906 ( 17.891 0.000 8.233) 19.694 1.106 ( 17.307 0.000 -4.118) 17.790 1.435 ( 4.139 0.000 -7.868) 8.890 1.629 ( 17.891 0.000 -0.992) 17.918 2.043 ( 0.798 0.000 1.497) 1.697 2.105 ( -0.198 0.000 6.573) 6.576 2.314 ( 6.640 0.000 -9.554) 11.635 3.145 ( -0.915 0.000 0.267) 0.954 3.226 ( 5.500 0.000 0.105) 5.501 3.713 ( -1.127 0.000 0.955) 1.477 5.544 ( -12.650 0.000 0.944) 12.686 8.303 ( 12.293 0.000 0.946) 12.329 8.724 ( 12.522 0.000 -1.106) 12.571 8.779 ( 15.453 0.000 0.119) 15.453 9.176 ( -1.073 0.000 0.438) 1.159 9.241 ( 78.971 0.000 -10.637) 79.684 12.790 ( -3.982 0.000 -0.347) 3.997 13.426 ( -15.113 0.000 4.059) 15.648 13.509 ( -3.924 0.000 -0.201) 3.929 13.606 ( -2.917 0.000 0.336) 2.936 13.849 ( 18.683 0.000 6.615) 19.820 14.811 ( -25.272 0.000 -7.055) 26.238 15.810 ( -5.595 0.000 -0.157) 5.597 ======================= Grid point 340 (59/84) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 6.071 0.000 3.621) 7.069 1.284 ( 18.450 0.000 7.261) 19.828 1.543 ( 6.584 0.000 -8.199) 10.515 1.567 ( 21.596 0.000 -4.168) 21.995 1.994 ( 15.886 0.000 5.210) 16.719 2.066 ( 1.518 0.000 1.269) 1.979 2.116 ( 7.426 0.000 -2.501) 7.836 2.576 ( 15.557 0.000 -0.590) 15.568 3.119 ( -1.716 0.000 0.203) 1.728 3.308 ( 2.720 0.000 0.575) 2.780 3.822 ( 11.979 0.000 -1.280) 12.047 5.253 ( -15.335 0.000 1.411) 15.399 8.648 ( 22.057 0.000 0.807) 22.072 8.913 ( -6.485 0.000 2.662) 7.010 9.078 ( 22.865 0.000 -0.909) 22.883 9.341 ( 20.056 0.000 0.055) 20.056 10.583 ( 53.015 0.000 -8.659) 53.717 12.696 ( -5.727 0.000 0.597) 5.758 12.894 ( -34.137 0.000 8.605) 35.205 13.392 ( -7.968 0.000 -0.043) 7.968 13.522 ( -5.627 0.000 0.165) 5.629 14.163 ( 9.365 0.000 17.955) 20.251 14.630 ( 8.688 0.000 -24.737) 26.218 15.650 ( -10.487 0.000 -0.475) 10.497 ======================= Grid point 341 (60/84) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 17.569 0.000 -0.451) 17.574 1.561 ( 8.304 0.000 4.335) 9.368 1.721 ( 12.072 0.000 -5.362) 13.209 1.830 ( 5.965 0.000 -1.346) 6.115 2.101 ( 1.957 0.000 0.900) 2.154 2.250 ( 12.647 0.000 0.261) 12.649 2.387 ( 13.621 0.000 -0.798) 13.644 2.884 ( 15.111 0.000 2.024) 15.246 3.079 ( -2.281 0.000 0.123) 2.284 3.389 ( 6.943 0.000 -0.280) 6.949 4.127 ( 17.322 0.000 -1.519) 17.388 4.981 ( -11.308 0.000 1.298) 11.382 8.658 ( -17.835 0.000 2.778) 18.050 9.145 ( 27.307 0.000 0.619) 27.314 9.603 ( 29.605 0.000 -0.627) 29.612 9.769 ( 20.970 0.000 0.520) 20.976 11.387 ( 30.400 0.000 -2.692) 30.519 12.220 ( -28.707 0.000 5.555) 29.240 12.646 ( -1.154 0.000 -2.232) 2.513 13.193 ( -12.171 0.000 0.230) 12.173 13.387 ( -7.909 0.000 -0.142) 7.910 14.317 ( 8.258 0.000 8.728) 12.016 14.863 ( 9.739 0.000 -11.700) 15.223 15.406 ( -13.757 0.000 -1.190) 13.808 ======================= Grid point 342 (61/84) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 21.442 0.000 -0.792) 21.456 1.665 ( 3.456 0.000 0.454) 3.485 1.893 ( 1.541 0.000 0.165) 1.550 1.958 ( 10.732 0.000 -1.159) 10.795 2.140 ( 1.884 0.000 0.507) 1.951 2.434 ( 5.559 0.000 -2.016) 5.913 2.591 ( 7.094 0.000 0.622) 7.122 3.031 ( -2.456 0.000 0.056) 2.457 3.132 ( 8.780 0.000 3.274) 9.370 3.594 ( 12.920 0.000 -2.414) 13.144 4.464 ( 16.040 0.000 -1.094) 16.078 4.837 ( -2.788 0.000 0.940) 2.942 8.248 ( -22.456 0.000 1.048) 22.481 9.691 ( 27.032 0.000 0.436) 27.036 10.139 ( 16.292 0.000 0.236) 16.294 10.222 ( 32.409 0.000 -0.316) 32.411 11.726 ( -11.786 0.000 4.963) 12.788 11.866 ( 8.815 0.000 -3.658) 9.544 12.702 ( 7.090 0.000 -1.999) 7.367 12.910 ( -16.497 0.000 0.514) 16.505 13.215 ( -9.259 0.000 -0.491) 9.272 14.491 ( 8.773 0.000 6.163) 10.722 14.959 ( -0.161 0.000 -3.684) 3.687 15.129 ( -13.220 0.000 -3.031) 13.563 ======================= Grid point 343 (62/84) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 1.697 0.000 -0.081) 1.699 1.891 ( 19.402 0.000 0.390) 19.406 1.913 ( 2.370 0.000 -0.035) 2.370 2.130 ( 6.599 0.000 -0.253) 6.604 2.173 ( 1.385 0.000 0.156) 1.393 2.496 ( 1.456 0.000 -0.450) 1.524 2.666 ( 0.248 0.000 -0.534) 0.589 2.986 ( -2.028 0.000 0.019) 2.029 3.216 ( 0.462 0.000 3.391) 3.422 3.843 ( 10.958 0.000 -4.432) 11.820 4.736 ( 11.081 0.000 -0.587) 11.097 4.859 ( 3.855 0.000 0.875) 3.953 7.826 ( -18.743 0.000 -1.725) 18.823 10.173 ( 20.748 0.000 0.311) 20.750 10.407 ( 10.677 0.000 0.148) 10.678 10.860 ( 31.611 0.000 -0.052) 31.611 11.469 ( -10.234 0.000 -0.308) 10.239 12.037 ( 5.393 0.000 0.359) 5.405 12.543 ( -20.609 0.000 0.723) 20.622 12.899 ( 11.225 0.000 -0.946) 11.265 13.035 ( -8.453 0.000 -0.789) 8.490 14.642 ( 6.002 0.000 6.576) 8.903 14.824 ( -10.720 0.000 -0.167) 10.722 14.971 ( -3.931 0.000 -5.068) 6.414 ======================= Grid point 344 (63/84) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.515 0.000 -0.110) 0.527 1.920 ( 0.242 0.000 0.225) 0.330 2.189 ( 0.509 0.000 0.288) 0.584 2.221 ( 2.243 0.000 -0.338) 2.269 2.272 ( 15.858 0.000 1.989) 15.983 2.502 ( -1.468 0.000 2.045) 2.517 2.597 ( -6.020 0.000 -3.734) 7.084 2.956 ( -0.821 0.000 0.010) 0.821 3.200 ( -0.980 0.000 2.679) 2.852 3.996 ( 4.080 0.000 -5.309) 6.695 4.887 ( 3.974 0.000 -0.307) 3.986 4.933 ( 2.455 0.000 0.922) 2.622 7.559 ( -7.289 0.000 -3.663) 8.158 10.468 ( 8.083 0.000 0.263) 8.087 10.553 ( 3.890 0.000 0.505) 3.923 11.332 ( -3.574 0.000 -2.033) 4.111 11.436 ( 24.518 0.000 -0.033) 24.518 12.100 ( 1.462 0.000 1.098) 1.828 12.116 ( -20.603 0.000 0.961) 20.625 12.908 ( -3.709 0.000 -0.968) 3.834 13.077 ( 5.362 0.000 0.109) 5.363 14.653 ( -4.573 0.000 -0.390) 4.590 14.725 ( 1.526 0.000 6.937) 7.102 14.914 ( -1.533 0.000 -4.657) 4.903 ======================= Grid point 352 (64/84) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -3.166 -3.166 7.513) 8.746 0.887 ( 8.382 8.382 8.089) 14.352 1.411 ( 21.868 21.868 -1.668) 30.971 1.524 ( 6.207 6.207 -7.507) 11.550 1.726 ( 10.662 10.662 -0.424) 15.084 2.088 ( -0.781 -0.781 3.939) 4.091 2.108 ( 3.877 3.877 1.278) 5.630 2.379 ( 8.425 8.425 -4.901) 12.884 3.115 ( -2.774 -2.774 -0.008) 3.923 3.314 ( 7.737 7.737 0.371) 10.948 3.709 ( 1.011 1.011 0.111) 1.435 5.447 ( -9.299 -9.299 1.214) 13.207 8.210 ( 1.251 1.251 1.217) 2.147 8.528 ( -3.722 -3.722 -0.699) 5.310 9.137 ( -3.250 -3.250 0.631) 4.640 9.194 ( 24.344 24.344 0.440) 34.431 9.997 ( 54.885 54.885 -10.940) 78.386 12.727 ( -5.701 -5.701 -0.621) 8.087 13.303 ( -16.771 -16.771 8.486) 25.191 13.409 ( -7.076 -7.076 -0.072) 10.008 13.509 ( -6.014 -6.014 0.379) 8.513 14.086 ( 16.145 16.145 15.514) 27.604 14.698 ( -3.989 -3.989 -20.451) 21.215 15.762 ( -4.767 -4.767 -0.325) 6.750 ======================= Grid point 353 (65/84) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 8.566 3.480 1.884) 9.436 1.189 ( 18.917 -2.465 5.714) 19.914 1.631 ( 5.148 9.346 -6.277) 12.379 1.790 ( 12.239 12.120 -1.607) 17.300 2.006 ( 15.722 2.363 3.232) 16.223 2.157 ( 9.965 6.827 -2.765) 12.391 2.178 ( 4.249 8.286 0.966) 9.362 2.614 ( 13.560 3.947 0.334) 14.127 3.053 ( -3.088 -4.492 -0.143) 5.453 3.453 ( 5.126 12.209 0.459) 13.249 3.826 ( 11.810 0.599 -1.102) 11.876 5.212 ( -13.362 -4.272 1.459) 14.104 8.413 ( 17.772 -15.740 1.060) 23.764 8.587 ( 7.788 -20.430 0.432) 21.868 9.028 ( -6.481 -3.643 0.644) 7.463 9.684 ( 23.739 20.962 1.141) 31.689 10.972 ( 41.162 31.157 -6.598) 52.044 12.593 ( -7.537 -9.762 -0.373) 12.339 12.793 ( -29.601 -9.792 8.582) 32.339 13.254 ( -9.292 -12.054 0.325) 15.223 13.390 ( -6.340 -9.491 0.281) 11.417 14.309 ( 7.877 11.066 14.700) 20.015 14.846 ( 14.823 18.547 -21.258) 31.869 15.627 ( -8.681 -1.906 -1.231) 8.973 ======================= Grid point 354 (66/84) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 17.907 5.260 -0.548) 18.671 1.550 ( 16.050 -2.201 5.049) 16.969 1.731 ( 5.328 6.955 -6.196) 10.731 1.905 ( 2.502 3.238 0.351) 4.107 2.203 ( 3.860 9.118 1.524) 10.018 2.372 ( 14.101 5.837 1.032) 15.296 2.408 ( 11.468 7.458 -3.183) 14.045 2.880 ( 12.683 -0.432 2.479) 12.930 3.007 ( -1.175 -4.517 -1.266) 4.837 3.555 ( 6.759 14.050 -0.052) 15.592 4.131 ( 17.463 0.639 -1.159) 17.513 4.962 ( -10.883 -1.964 1.293) 11.134 8.604 ( -11.783 -7.192 2.743) 14.074 8.855 ( 25.721 -24.204 0.714) 35.326 9.062 ( 14.539 -29.766 -0.745) 33.136 10.109 ( 19.201 12.249 0.748) 22.787 11.622 ( 24.984 19.745 -1.745) 31.892 12.248 ( -21.834 2.862 4.648) 22.506 12.487 ( -4.356 -15.020 -2.660) 15.863 13.036 ( -12.833 -14.203 0.474) 19.147 13.255 ( -7.143 -9.901 0.096) 12.209 14.479 ( 9.548 14.114 6.948) 18.402 15.080 ( 6.265 14.453 -7.095) 17.276 15.439 ( -9.296 6.029 -3.799) 11.714 ======================= Grid point 355 (67/84) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 21.122 4.986 -0.676) 21.713 1.749 ( 4.497 7.410 1.742) 8.841 1.873 ( 6.548 -0.278 -1.816) 6.801 1.957 ( 5.049 0.282 -0.489) 5.081 2.261 ( 2.286 11.229 0.827) 11.489 2.558 ( 4.560 9.784 -1.278) 10.869 2.600 ( 8.174 1.711 0.125) 8.352 2.970 ( -0.935 -4.333 -0.121) 4.434 3.114 ( 7.851 -1.839 1.815) 8.266 3.741 ( 11.495 13.142 -1.597) 17.533 4.470 ( 16.085 0.803 -0.832) 16.127 4.817 ( -3.177 -1.975 0.932) 3.855 8.249 ( -21.118 -0.173 1.068) 21.145 9.388 ( 27.216 -27.275 0.483) 38.534 9.451 ( 21.644 -42.923 0.015) 48.071 10.448 ( 15.249 -0.822 -0.357) 15.275 11.888 ( -6.731 14.261 4.470) 16.391 11.993 ( 4.680 8.797 -2.758) 10.339 12.464 ( 1.325 -19.937 -2.280) 20.110 12.749 ( -16.048 -14.508 0.572) 21.641 13.129 ( -4.468 -6.525 -0.236) 7.912 14.672 ( 9.481 16.117 5.210) 19.411 15.043 ( -8.709 1.351 0.144) 8.814 15.320 ( -2.947 21.849 -6.027) 22.856 ======================= Grid point 356 (68/84) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 2.025 8.182 0.011) 8.429 1.917 ( 2.440 1.134 0.560) 2.748 1.940 ( 18.635 4.161 -0.222) 19.095 2.102 ( 6.662 -1.211 -0.811) 6.819 2.296 ( 1.297 11.538 0.279) 11.614 2.613 ( 1.581 9.092 1.270) 9.315 2.697 ( 1.504 3.945 -1.708) 4.554 2.944 ( -1.487 -3.084 -0.683) 3.491 3.191 ( 0.350 -2.510 2.574) 3.612 3.965 ( 10.036 11.371 -3.287) 15.519 4.743 ( 11.065 0.796 -0.444) 11.102 4.830 ( 3.456 -2.889 0.852) 4.584 7.846 ( -18.066 1.721 -1.544) 18.214 9.847 ( 17.224 -43.232 0.417) 46.539 9.890 ( 22.339 -26.299 0.310) 34.508 10.716 ( 11.779 -18.377 -1.141) 21.857 11.764 ( -2.569 20.676 0.706) 20.847 12.078 ( 2.813 -2.805 0.094) 3.974 12.405 ( -16.843 -12.239 1.200) 20.855 12.452 ( -5.927 -25.144 -1.307) 25.866 13.123 ( 3.759 -0.331 -0.521) 3.810 14.820 ( -0.213 10.638 4.418) 11.521 14.860 ( -2.776 8.621 0.676) 9.082 15.265 ( -2.893 25.103 -4.107) 25.601 ======================= Grid point 357 (69/84) ======================= q-point: ( 0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 0.535 8.362 -0.113) 8.380 1.927 ( 0.193 0.693 0.202) 0.747 2.190 ( 2.188 -0.991 -0.606) 2.477 2.292 ( 9.012 5.639 0.103) 10.632 2.325 ( 6.341 8.829 1.585) 10.985 2.600 ( -4.777 6.804 2.552) 8.696 2.678 ( -1.177 9.366 -3.503) 10.069 2.919 ( -0.769 -3.061 -0.853) 3.269 3.173 ( -0.970 -2.599 2.244) 3.568 4.106 ( 3.806 10.424 -4.090) 11.827 4.893 ( 3.895 0.355 -0.023) 3.911 4.900 ( 2.433 -2.983 0.710) 3.914 7.588 ( -7.067 2.576 -3.359) 8.238 10.088 ( 6.420 -37.544 0.337) 38.091 10.217 ( 9.276 -23.432 0.281) 25.203 10.891 ( 5.037 -34.185 -1.436) 34.584 11.813 ( 7.899 16.332 0.276) 18.144 12.062 ( -16.034 -0.833 0.751) 16.073 12.141 ( 3.665 -3.452 0.567) 5.066 12.309 ( -7.116 -35.697 -0.407) 36.402 13.210 ( 3.132 0.204 -0.203) 3.145 14.701 ( -3.878 4.786 -0.589) 6.188 14.927 ( 2.214 17.772 5.727) 18.802 15.218 ( -1.428 25.973 -3.625) 26.264 ======================= Grid point 366 (70/84) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 11.631 11.631 -0.049) 16.448 1.279 ( 11.067 11.067 5.504) 16.591 1.828 ( 8.493 8.493 -6.227) 13.529 1.916 ( 2.341 2.341 0.732) 3.391 2.111 ( 8.736 8.736 1.216) 12.414 2.355 ( 8.648 8.648 0.595) 12.245 2.395 ( 14.826 14.826 -1.485) 21.020 2.731 ( 7.335 7.335 1.111) 10.432 2.975 ( -2.943 -2.943 -1.748) 4.514 3.722 ( 12.292 12.292 0.445) 17.390 3.879 ( 7.292 7.292 -0.826) 10.346 5.084 ( -8.452 -8.452 1.480) 12.044 8.238 ( -0.558 -0.558 1.480) 1.677 8.288 ( -8.320 -8.320 0.123) 11.766 8.913 ( -8.492 -8.492 0.646) 12.026 10.022 ( 12.597 12.597 2.078) 17.936 11.581 ( 28.049 28.049 -3.372) 39.810 12.350 ( -13.765 -13.765 -1.299) 19.510 12.558 ( -12.127 -12.127 5.744) 18.087 12.984 ( -14.488 -14.488 0.277) 20.491 13.215 ( -8.115 -8.115 0.450) 11.485 14.544 ( 12.565 12.565 7.978) 19.478 15.169 ( 9.539 9.539 -8.159) 15.766 15.616 ( 2.623 2.623 -5.807) 6.891 ======================= Grid point 367 (71/84) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 17.563 11.682 -0.521) 21.099 1.567 ( 16.348 5.136 3.967) 17.589 1.932 ( 1.854 7.318 -1.507) 7.698 1.952 ( 2.763 6.204 -2.614) 7.277 2.327 ( 11.012 1.824 0.415) 11.169 2.512 ( 7.672 12.754 1.340) 14.943 2.646 ( 8.861 10.340 -0.700) 13.635 2.859 ( 4.925 -1.435 4.366) 6.736 2.975 ( 3.845 2.362 -6.130) 7.611 3.881 ( 7.193 18.187 0.052) 19.558 4.163 ( 17.763 2.907 -0.421) 18.005 4.901 ( -9.172 -4.290 1.261) 10.204 8.255 ( 4.067 -24.364 1.091) 24.725 8.390 ( 14.549 -19.365 1.099) 24.247 8.686 ( -13.759 -10.741 0.036) 17.455 10.191 ( 5.231 -2.622 1.282) 5.990 11.996 ( 3.067 6.478 -0.916) 7.225 12.123 ( 1.286 -8.448 0.005) 8.546 12.360 ( -7.797 5.889 0.325) 9.776 12.693 ( -14.486 -19.553 0.576) 24.341 13.067 ( -6.595 -8.995 0.376) 11.160 14.799 ( 12.894 17.101 4.691) 21.925 15.183 ( -5.321 -1.630 -0.134) 5.566 15.727 ( 5.985 18.430 -7.465) 20.765 ======================= Grid point 368 (72/84) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 20.052 10.304 -0.368) 22.548 1.865 ( 12.068 4.937 2.629) 13.301 1.949 ( 0.989 2.860 1.261) 3.278 2.014 ( 3.569 9.781 -4.360) 11.288 2.485 ( 4.834 6.917 0.466) 8.452 2.667 ( 7.370 9.526 2.283) 12.259 2.743 ( 3.030 4.224 -1.652) 5.455 2.944 ( 2.882 3.778 0.778) 4.815 3.080 ( 5.167 -0.416 -2.085) 5.588 4.054 ( 9.970 17.596 -0.771) 20.238 4.504 ( 16.042 2.912 -0.291) 16.307 4.761 ( -4.112 -3.639 0.917) 5.567 8.216 ( -15.182 -4.386 1.242) 15.852 8.582 ( 11.114 -42.095 -0.317) 43.538 8.777 ( 22.951 -31.382 0.373) 38.881 10.251 ( 0.970 -15.770 -0.332) 15.803 11.790 ( -12.482 -27.245 -0.908) 29.981 12.142 ( -11.325 1.546 2.243) 11.648 12.341 ( 3.853 6.044 -1.596) 7.343 12.463 ( -7.346 -5.891 0.609) 9.436 12.985 ( -0.687 -8.299 -0.104) 8.328 15.022 ( 2.196 10.261 3.698) 11.126 15.062 ( 1.326 9.118 0.239) 9.217 15.797 ( 1.086 23.049 -4.648) 23.538 ======================= Grid point 369 (73/84) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.384 1.602 0.292) 1.673 2.011 ( 3.483 12.328 0.567) 12.823 2.066 ( 18.086 8.181 0.340) 19.853 2.131 ( 7.078 4.855 -1.861) 8.783 2.542 ( 1.419 10.092 0.054) 10.192 2.765 ( 3.250 6.264 2.040) 7.346 2.819 ( 3.531 6.148 -1.768) 7.307 2.961 ( -0.772 7.939 -0.693) 8.007 3.132 ( -0.195 -2.506 0.400) 2.545 4.246 ( 8.592 16.105 -1.653) 18.328 4.748 ( 2.204 -5.255 0.815) 5.757 4.775 ( 10.892 2.565 -0.179) 11.191 7.867 ( -16.620 -0.824 -1.104) 16.677 8.920 ( 19.891 -47.911 0.344) 51.877 9.254 ( 23.835 -35.334 0.314) 42.623 10.216 ( -4.987 -29.206 -1.158) 29.651 11.549 ( -11.849 -37.953 -0.441) 39.762 11.877 ( -12.994 -15.133 0.632) 19.956 12.318 ( -4.811 1.859 0.222) 5.162 12.379 ( -2.145 12.369 0.782) 12.578 13.036 ( 4.311 -7.984 -0.419) 9.083 14.909 ( -5.313 5.044 -0.093) 7.326 15.226 ( 7.237 20.202 3.509) 21.744 15.788 ( -1.455 25.158 -3.025) 25.381 ======================= Grid point 370 (74/84) ======================= q-point: ( 0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.100 1.418 0.184) 1.433 2.040 ( 0.605 12.872 -0.118) 12.887 2.224 ( 2.350 4.719 -0.942) 5.355 2.397 ( 12.938 6.577 0.826) 14.537 2.545 ( -1.631 9.531 -0.498) 9.682 2.805 ( -0.589 14.394 1.699) 14.506 2.849 ( 0.968 1.058 -2.231) 2.652 2.930 ( -1.786 10.868 -0.117) 11.015 3.107 ( -1.084 -3.474 0.573) 3.684 4.368 ( 3.320 15.149 -2.071) 15.646 4.802 ( 2.064 -6.386 0.842) 6.764 4.923 ( 3.855 2.336 -0.081) 4.508 7.628 ( -6.593 -0.169 -2.437) 7.031 9.280 ( 13.319 -41.303 0.188) 43.398 9.635 ( 11.917 -33.450 0.239) 35.510 10.070 ( -7.546 -45.829 -1.046) 46.458 11.349 ( -6.754 -46.819 0.047) 47.304 11.691 ( -4.997 -18.550 0.343) 19.215 12.225 ( -3.051 -0.717 0.363) 3.155 12.358 ( -0.394 19.257 0.671) 19.273 13.104 ( 1.937 -10.014 -0.299) 10.204 14.839 ( -1.770 8.978 -0.614) 9.172 15.323 ( 2.490 20.457 3.921) 20.978 15.760 ( -0.901 26.267 -2.505) 26.401 ======================= Grid point 380 (75/84) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 16.146 16.146 -0.297) 22.835 1.751 ( 12.677 12.677 3.633) 18.292 1.961 ( 0.772 0.772 0.303) 1.133 2.157 ( 7.949 7.949 -4.828) 12.234 2.381 ( 5.373 5.373 0.612) 7.623 2.740 ( 0.488 0.488 -0.260) 0.738 2.775 ( 12.139 12.139 0.424) 17.172 2.881 ( 4.367 4.367 7.288) 9.553 3.075 ( 5.905 5.905 -8.659) 12.030 4.235 ( 13.096 13.096 0.348) 18.524 4.269 ( 11.853 11.853 -0.354) 16.766 4.794 ( -6.255 -6.255 1.131) 8.918 7.873 ( -11.999 -11.999 0.364) 16.972 8.158 ( -3.559 -3.559 0.924) 5.118 8.449 ( -14.841 -14.841 0.289) 20.990 10.081 ( -6.979 -6.979 0.792) 9.901 11.640 ( -21.822 -21.822 -1.064) 30.879 12.259 ( -22.234 -22.234 0.295) 31.445 12.359 ( 11.499 11.499 1.124) 16.300 12.502 ( 5.748 5.748 -0.622) 8.153 12.896 ( -8.129 -8.129 0.452) 11.506 15.105 ( 3.659 3.659 2.973) 5.968 15.142 ( 8.263 8.263 0.598) 11.701 16.028 ( 11.209 11.209 -5.143) 16.666 ======================= Grid point 381 (76/84) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 18.062 14.167 0.046) 22.955 1.970 ( 0.956 2.029 0.171) 2.249 2.026 ( 13.162 9.626 2.912) 16.564 2.251 ( 2.849 12.117 -3.639) 12.968 2.532 ( 8.094 0.642 -0.013) 8.119 2.746 ( 1.014 -0.429 -1.063) 1.530 2.927 ( 4.526 10.187 3.901) 11.810 3.040 ( 9.438 7.115 1.943) 11.978 3.160 ( 2.470 7.038 -5.893) 9.506 4.407 ( 8.690 17.492 -0.258) 19.534 4.592 ( 15.503 5.958 0.015) 16.608 4.676 ( -4.843 -4.855 0.852) 6.911 7.803 ( 4.124 -30.952 0.021) 31.225 8.103 ( -18.038 -11.835 0.420) 21.578 8.249 ( 11.688 -20.254 0.303) 23.387 9.932 ( -8.829 -14.737 -0.053) 17.180 11.219 ( -20.723 -28.732 -0.603) 35.431 11.801 ( -22.811 -26.137 0.275) 34.692 12.462 ( -3.035 4.006 -0.212) 5.030 12.592 ( 3.544 9.738 1.206) 10.433 12.792 ( -0.937 -11.386 -0.157) 11.425 15.058 ( -2.065 1.954 0.198) 2.850 15.404 ( 11.930 16.541 2.331) 20.527 16.173 ( 3.976 14.687 -3.180) 15.545 ======================= Grid point 382 (77/84) ======================= q-point: ( 0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 0.269 1.804 0.279) 1.845 2.240 ( 7.878 10.634 2.430) 13.456 2.269 ( 16.045 12.569 0.108) 20.382 2.304 ( 3.638 11.557 -3.104) 12.507 2.658 ( 4.359 3.007 -0.179) 5.299 2.785 ( 2.651 0.016 -1.724) 3.162 2.998 ( 2.462 3.979 3.091) 5.608 3.170 ( 2.612 13.204 -0.592) 13.473 3.186 ( 1.092 9.476 -1.795) 9.706 4.568 ( 6.823 14.996 -0.084) 16.476 4.629 ( 0.514 -5.575 0.193) 5.602 4.852 ( 10.361 5.186 0.017) 11.586 7.696 ( -15.657 -22.645 -0.665) 27.539 8.097 ( 18.885 -28.906 0.184) 34.528 8.587 ( 20.692 -30.169 0.270) 36.584 9.679 ( -18.054 -22.564 -0.624) 28.905 10.820 ( -19.446 -34.495 -0.041) 39.599 11.410 ( -15.472 -29.315 0.382) 33.149 12.301 ( -10.079 -3.675 -0.229) 10.730 12.653 ( 2.303 12.337 1.457) 12.635 12.813 ( 1.468 -14.479 -0.516) 14.562 15.037 ( -0.195 7.632 -0.426) 7.646 15.595 ( 7.329 16.508 2.334) 18.212 16.210 ( 0.348 17.221 -2.096) 17.352 ======================= Grid point 383 (78/84) ======================= q-point: ( 0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.103 1.960 0.234) 1.977 2.302 ( 0.857 13.000 -0.079) 13.028 2.374 ( 2.378 10.152 -0.696) 10.450 2.559 ( 10.847 9.848 0.281) 14.653 2.697 ( -0.783 6.375 -0.868) 6.482 2.830 ( 1.438 0.357 -1.638) 2.208 3.013 ( -0.633 -1.219 2.427) 2.789 3.176 ( -0.250 9.777 -1.849) 9.953 3.201 ( -0.028 20.291 0.617) 20.301 4.640 ( 1.502 -3.786 1.822) 4.462 4.687 ( 2.713 10.462 -1.851) 10.966 4.992 ( 3.629 4.648 0.032) 5.897 7.463 ( -6.487 -20.057 -0.931) 21.101 8.572 ( 26.375 -28.399 -0.173) 38.758 8.961 ( 13.226 -33.279 0.112) 35.811 9.221 ( -25.998 -35.463 -0.853) 43.980 10.491 ( -11.313 -38.457 0.477) 40.090 11.213 ( -4.639 -29.495 0.514) 29.862 12.143 ( -4.667 -7.358 -0.100) 8.714 12.682 ( 0.705 13.311 1.082) 13.374 12.832 ( 0.399 -17.297 -0.450) 17.307 15.040 ( 0.232 10.876 -0.770) 10.905 15.691 ( 2.444 16.251 2.452) 16.616 16.207 ( -0.263 18.572 -1.678) 18.649 ======================= Grid point 394 (79/84) ======================= q-point: ( 0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 1.053 1.053 0.290) 1.517 2.215 ( 16.122 16.122 0.239) 22.801 2.257 ( 12.402 12.402 3.135) 17.817 2.452 ( 6.982 6.982 -4.324) 10.779 2.568 ( 4.355 4.355 0.075) 6.160 2.755 ( 1.584 1.584 -1.216) 2.549 3.023 ( 3.007 3.007 3.133) 5.282 3.272 ( 3.912 3.912 -3.603) 6.602 3.273 ( 12.621 12.621 0.729) 17.864 4.572 ( -5.236 -5.236 0.968) 7.467 4.717 ( 10.886 10.886 0.143) 15.396 4.743 ( 11.159 11.159 -0.416) 15.787 7.336 ( -16.527 -16.527 -0.386) 23.375 7.834 ( -13.251 -13.251 0.060) 18.740 8.019 ( -2.635 -2.635 0.342) 3.743 9.682 ( -11.807 -11.807 0.475) 16.705 10.680 ( -25.533 -25.533 -0.104) 36.110 11.246 ( -28.510 -28.510 -0.038) 40.320 12.463 ( -6.418 -6.418 -0.914) 9.122 12.546 ( -9.996 -9.996 0.195) 14.138 12.756 ( 6.363 6.363 1.536) 9.129 15.117 ( 3.840 3.840 -0.335) 5.440 15.685 ( 11.802 11.802 1.702) 16.777 16.383 ( 6.981 6.981 -2.042) 10.081 ======================= Grid point 395 (80/84) ======================= q-point: ( 0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.667 1.671 0.353) 1.834 2.465 ( 7.651 11.560 2.866) 14.156 2.528 ( 10.075 12.486 -1.578) 16.122 2.537 ( 8.242 12.548 -1.024) 15.047 2.692 ( 6.284 1.107 -1.050) 6.467 2.805 ( 3.170 2.071 -1.105) 3.944 3.065 ( 0.841 4.496 1.655) 4.865 3.321 ( 1.360 5.354 -1.917) 5.848 3.486 ( 8.274 14.914 0.609) 17.066 4.486 ( -2.895 -7.083 0.757) 7.689 4.869 ( 6.435 13.341 -0.232) 14.814 4.973 ( 9.515 6.788 -0.030) 11.688 7.068 ( -12.591 -32.495 -0.104) 34.849 7.736 ( 6.665 -13.228 -0.584) 14.824 8.122 ( 11.477 -16.105 0.166) 19.777 9.373 ( -21.771 -9.188 0.594) 23.638 10.215 ( -21.311 -26.285 0.427) 33.842 10.758 ( -18.593 -35.744 0.140) 40.290 12.189 ( -15.264 -7.090 -0.469) 16.837 12.467 ( -2.372 -19.862 -0.411) 20.007 12.849 ( 3.190 7.394 1.487) 8.189 15.196 ( 3.679 7.958 -0.805) 8.804 15.869 ( 6.837 11.178 1.381) 13.176 16.470 ( 2.363 9.422 -1.337) 9.805 ======================= Grid point 396 (81/84) ======================= q-point: ( 0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.229 2.004 0.365) 2.050 2.538 ( 1.110 10.662 -0.190) 10.722 2.600 ( 2.310 11.957 0.238) 12.180 2.770 ( 4.760 6.583 -1.179) 8.209 2.792 ( 6.271 7.808 0.049) 10.015 2.859 ( 1.713 2.413 -0.643) 3.029 3.048 ( -2.191 5.583 1.109) 6.099 3.336 ( 0.331 6.244 -1.100) 6.349 3.586 ( 2.129 17.824 0.355) 17.954 4.462 ( -0.050 -9.821 0.639) 9.841 4.962 ( 2.598 12.908 -0.301) 13.170 5.101 ( 3.315 6.152 0.029) 6.989 6.866 ( -6.088 -35.733 0.152) 36.248 8.073 ( 23.237 -23.079 -1.039) 32.767 8.368 ( 9.572 -25.950 -0.099) 27.659 8.833 ( -28.749 -5.034 0.314) 29.188 9.876 ( -10.914 -23.048 0.912) 25.518 10.538 ( -4.662 -38.335 0.713) 38.624 11.956 ( -6.774 -10.822 -0.419) 12.774 12.432 ( -1.004 -22.670 -0.550) 22.699 12.888 ( 0.936 7.769 1.374) 7.945 15.249 ( 1.485 9.841 -1.080) 10.011 15.957 ( 2.212 10.695 1.284) 10.996 16.494 ( 0.442 10.763 -1.026) 10.821 ======================= Grid point 408 (82/84) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 1.150 1.150 0.447) 1.687 2.653 ( 6.408 6.408 1.915) 9.262 2.722 ( 3.508 3.508 -0.384) 4.976 2.728 ( 7.413 7.413 -2.275) 10.728 2.811 ( 13.259 13.259 0.598) 18.761 2.860 ( 3.211 3.211 -0.599) 4.581 3.158 ( 3.907 3.907 1.285) 5.673 3.396 ( 2.533 2.533 -1.538) 3.899 3.739 ( 10.507 10.507 0.229) 14.861 4.356 ( -5.737 -5.737 0.429) 8.124 5.081 ( 7.492 7.492 0.027) 10.595 5.112 ( 7.222 7.222 -0.069) 10.214 6.517 ( -22.756 -22.756 0.265) 32.183 7.599 ( 1.304 1.304 -1.194) 2.197 7.948 ( -2.544 -2.544 -0.097) 3.600 9.211 ( -11.273 -11.273 1.764) 16.039 9.796 ( -15.977 -15.977 0.931) 22.615 10.076 ( -29.455 -29.455 -0.006) 41.656 12.022 ( -13.229 -13.229 -0.843) 18.727 12.089 ( -12.872 -12.872 -0.254) 18.205 12.955 ( 3.615 3.615 1.566) 5.346 15.335 ( 5.807 5.807 -1.178) 8.296 16.039 ( 6.196 6.196 0.764) 8.796 16.599 ( 4.076 4.076 -0.829) 5.824 ======================= Grid point 409 (83/84) ======================= q-point: ( 0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.404 1.458 0.493) 1.592 2.715 ( 1.089 7.127 -0.293) 7.216 2.786 ( 2.207 3.347 1.202) 4.186 2.834 ( 2.540 6.769 -1.445) 7.372 2.914 ( 1.812 2.787 0.216) 3.331 3.031 ( 7.648 12.091 0.450) 14.314 3.192 ( -0.482 7.504 1.440) 7.656 3.429 ( 0.818 3.364 -1.459) 3.757 3.886 ( 3.874 12.174 -0.221) 12.777 4.275 ( -2.114 -8.591 0.040) 8.847 5.178 ( 2.585 8.675 0.035) 9.052 5.220 ( 2.961 5.530 0.052) 6.273 6.197 ( -8.714 -29.604 0.549) 30.865 7.775 ( 12.376 -4.831 -1.658) 13.389 7.955 ( 1.380 -15.692 -0.395) 15.758 8.846 ( -19.882 3.119 1.688) 20.196 9.588 ( -5.146 -6.943 1.387) 8.753 9.737 ( -6.015 -40.949 0.775) 41.396 11.747 ( -8.764 -9.542 -0.599) 12.970 11.971 ( -2.665 -22.597 -0.597) 22.761 13.000 ( 1.048 3.774 1.573) 4.221 15.415 ( 2.105 6.668 -1.410) 7.133 16.118 ( 1.954 5.778 0.479) 6.118 16.647 ( 1.052 5.044 -0.589) 5.186 ======================= Grid point 422 (84/84) ======================= q-point: ( 0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 5.20e-05 0.00e+00 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.527 0.527 0.562) 0.933 2.810 ( 1.974 1.974 -0.172) 2.797 2.817 ( 1.273 1.273 -0.241) 1.816 2.944 ( 2.805 2.805 0.706) 4.029 2.957 ( 1.395 1.395 0.660) 2.080 3.226 ( 6.399 6.399 0.848) 9.090 3.297 ( 2.433 2.433 2.122) 4.043 3.474 ( 1.235 1.235 -2.092) 2.725 4.055 ( 4.710 4.710 -0.775) 6.706 4.145 ( -3.936 -3.936 -0.636) 5.602 5.296 ( 3.039 3.039 0.136) 4.300 5.303 ( 2.403 2.403 0.138) 3.401 5.772 ( -11.748 -11.748 0.694) 16.629 7.748 ( -5.219 -5.219 -0.601) 7.406 7.865 ( 9.837 9.837 -2.345) 14.108 8.869 ( -4.992 -4.992 2.515) 7.495 9.043 ( -19.781 -19.781 1.640) 28.022 9.555 ( 0.820 0.820 1.219) 1.682 11.602 ( -6.277 -6.277 -0.680) 8.903 11.625 ( -8.234 -8.234 -0.592) 11.660 13.046 ( 1.090 1.090 1.664) 2.268 15.505 ( 2.342 2.342 -1.617) 3.686 16.192 ( 1.793 1.793 0.077) 2.537 16.708 ( 1.402 1.402 -0.379) 2.019 =================== 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 3/20280 10.0 1102.020 1102.020 282.428 0.000 0.000 0.000 3/20280 20.0 306.728 306.728 41.159 0.000 -0.000 0.000 3/20280 30.0 167.733 167.733 18.864 -0.000 -0.000 0.000 3/20280 40.0 110.576 110.576 12.190 -0.000 0.000 0.000 3/20280 50.0 81.235 81.235 8.975 -0.000 0.000 0.000 3/20280 60.0 63.568 63.568 7.057 -0.000 0.000 0.000 3/20280 70.0 51.747 51.747 5.772 -0.000 0.000 0.000 3/20280 80.0 43.298 43.298 4.853 -0.000 0.000 0.000 3/20280 90.0 37.000 37.000 4.166 -0.000 0.000 0.000 3/20280 100.0 32.164 32.164 3.637 -0.000 0.000 0.000 3/20280 110.0 28.366 28.366 3.219 -0.000 0.000 0.000 3/20280 120.0 25.325 25.325 2.884 -0.000 0.000 0.000 3/20280 130.0 22.849 22.849 2.609 -0.000 0.000 0.000 3/20280 140.0 20.801 20.801 2.381 -0.000 0.000 0.000 3/20280 150.0 19.085 19.085 2.190 -0.000 0.000 0.000 3/20280 160.0 17.630 17.630 2.027 -0.000 0.000 0.000 3/20280 170.0 16.381 16.381 1.886 -0.000 0.000 0.000 3/20280 180.0 15.299 15.299 1.764 -0.000 0.000 0.000 3/20280 190.0 14.354 14.354 1.658 -0.000 0.000 0.000 3/20280 200.0 13.520 13.520 1.563 -0.000 0.000 0.000 3/20280 210.0 12.780 12.780 1.479 -0.000 0.000 0.000 3/20280 220.0 12.119 12.119 1.404 -0.000 0.000 0.000 3/20280 230.0 11.525 11.525 1.337 -0.000 0.000 0.000 3/20280 240.0 10.987 10.987 1.275 -0.000 0.000 0.000 3/20280 250.0 10.499 10.499 1.220 -0.000 0.000 0.000 3/20280 260.0 10.053 10.053 1.169 -0.000 0.000 0.000 3/20280 270.0 9.645 9.645 1.122 -0.000 0.000 0.000 3/20280 280.0 9.270 9.270 1.079 -0.000 0.000 0.000 3/20280 290.0 8.923 8.923 1.039 -0.000 0.000 0.000 3/20280 300.0 8.602 8.602 1.002 -0.000 0.000 0.000 3/20280 310.0 8.304 8.304 0.968 -0.000 0.000 0.000 3/20280 320.0 8.026 8.026 0.936 -0.000 0.000 0.000 3/20280 330.0 7.767 7.767 0.906 -0.000 0.000 0.000 3/20280 340.0 7.524 7.524 0.878 -0.000 0.000 0.000 3/20280 350.0 7.297 7.297 0.852 -0.000 0.000 0.000 3/20280 360.0 7.083 7.083 0.827 -0.000 0.000 0.000 3/20280 370.0 6.881 6.881 0.804 -0.000 0.000 0.000 3/20280 380.0 6.691 6.691 0.782 -0.000 0.000 0.000 3/20280 390.0 6.511 6.511 0.761 -0.000 0.000 0.000 3/20280 400.0 6.341 6.341 0.741 -0.000 0.000 0.000 3/20280 410.0 6.180 6.180 0.723 -0.000 0.000 0.000 3/20280 420.0 6.027 6.027 0.705 -0.000 0.000 0.000 3/20280 430.0 5.881 5.881 0.688 -0.000 0.000 0.000 3/20280 440.0 5.742 5.742 0.672 -0.000 0.000 0.000 3/20280 450.0 5.610 5.610 0.656 -0.000 0.000 0.000 3/20280 460.0 5.484 5.484 0.642 -0.000 0.000 0.000 3/20280 470.0 5.363 5.363 0.628 -0.000 0.000 0.000 3/20280 480.0 5.248 5.248 0.614 -0.000 0.000 0.000 3/20280 490.0 5.138 5.138 0.602 -0.000 0.000 0.000 3/20280 500.0 5.032 5.032 0.589 -0.000 0.000 0.000 3/20280 510.0 4.931 4.931 0.577 -0.000 0.000 0.000 3/20280 520.0 4.833 4.833 0.566 -0.000 0.000 0.000 3/20280 530.0 4.740 4.740 0.555 -0.000 0.000 0.000 3/20280 540.0 4.650 4.650 0.545 -0.000 0.000 0.000 3/20280 550.0 4.563 4.563 0.535 -0.000 0.000 0.000 3/20280 560.0 4.480 4.480 0.525 -0.000 0.000 0.000 3/20280 570.0 4.399 4.399 0.516 -0.000 0.000 0.000 3/20280 580.0 4.322 4.322 0.507 -0.000 0.000 0.000 3/20280 590.0 4.247 4.247 0.498 -0.000 0.000 0.000 3/20280 600.0 4.175 4.175 0.489 -0.000 0.000 0.000 3/20280 610.0 4.105 4.105 0.481 -0.000 0.000 0.000 3/20280 620.0 4.038 4.038 0.473 -0.000 0.000 0.000 3/20280 630.0 3.973 3.973 0.466 -0.000 0.000 0.000 3/20280 640.0 3.909 3.909 0.458 -0.000 0.000 0.000 3/20280 650.0 3.848 3.848 0.451 -0.000 0.000 0.000 3/20280 660.0 3.789 3.789 0.444 -0.000 0.000 0.000 3/20280 670.0 3.731 3.731 0.438 -0.000 0.000 0.000 3/20280 680.0 3.676 3.676 0.431 -0.000 0.000 0.000 3/20280 690.0 3.622 3.622 0.425 -0.000 0.000 0.000 3/20280 700.0 3.569 3.569 0.419 -0.000 0.000 0.000 3/20280 710.0 3.518 3.518 0.413 -0.000 0.000 0.000 3/20280 720.0 3.469 3.469 0.407 -0.000 0.000 0.000 3/20280 730.0 3.420 3.420 0.401 -0.000 0.000 0.000 3/20280 740.0 3.374 3.374 0.396 -0.000 0.000 0.000 3/20280 750.0 3.328 3.328 0.390 -0.000 0.000 0.000 3/20280 760.0 3.284 3.284 0.385 -0.000 0.000 0.000 3/20280 770.0 3.241 3.241 0.380 -0.000 0.000 0.000 3/20280 780.0 3.199 3.199 0.375 -0.000 0.000 0.000 3/20280 790.0 3.158 3.158 0.370 -0.000 0.000 0.000 3/20280 800.0 3.118 3.118 0.366 -0.000 0.000 0.000 3/20280 810.0 3.079 3.079 0.361 -0.000 0.000 0.000 3/20280 820.0 3.041 3.041 0.357 -0.000 0.000 0.000 3/20280 830.0 3.004 3.004 0.352 -0.000 0.000 0.000 3/20280 840.0 2.968 2.968 0.348 -0.000 0.000 0.000 3/20280 850.0 2.932 2.932 0.344 -0.000 0.000 0.000 3/20280 860.0 2.898 2.898 0.340 -0.000 0.000 0.000 3/20280 870.0 2.864 2.864 0.336 -0.000 0.000 0.000 3/20280 880.0 2.832 2.832 0.332 -0.000 0.000 0.000 3/20280 890.0 2.799 2.799 0.329 -0.000 0.000 0.000 3/20280 900.0 2.768 2.768 0.325 -0.000 0.000 0.000 3/20280 910.0 2.737 2.737 0.321 -0.000 0.000 0.000 3/20280 920.0 2.707 2.707 0.318 -0.000 0.000 0.000 3/20280 930.0 2.678 2.678 0.314 -0.000 0.000 0.000 3/20280 940.0 2.649 2.649 0.311 -0.000 0.000 0.000 3/20280 950.0 2.621 2.621 0.308 -0.000 0.000 0.000 3/20280 960.0 2.594 2.594 0.304 -0.000 0.000 0.000 3/20280 970.0 2.567 2.567 0.301 -0.000 0.000 0.000 3/20280 980.0 2.540 2.540 0.298 -0.000 0.000 0.000 3/20280 990.0 2.515 2.515 0.295 -0.000 0.000 0.000 3/20280 1000.0 2.489 2.489 0.292 -0.000 0.000 0.000 3/20280 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:46:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|