----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:27:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.283889810000000 -9.818609865000001 0.000000000000000 b 2.283889810000000 9.818609865000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.748188309999998 Atomic positions (fractional): *1 Br 0.93286763576904 0.06713236423096 0.25000000000000 79.904 2 Br 0.06713236423096 0.93286763576904 0.75000000000000 79.904 *3 Br 0.77263739824422 0.22736260175578 0.75000000000000 79.904 4 Br 0.22736260175578 0.77263739824422 0.25000000000000 79.904 *5 Ag 0.19959315956877 0.80040684043123 0.75000000000000 107.868 6 Ag 0.80040684043123 0.19959315956877 0.25000000000000 107.868 *7 Cs 0.58704234547815 0.41295765452185 0.25000000000000 132.905 8 Cs 0.41295765452185 0.58704234547815 0.75000000000000 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.567779620000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.637219730000002 0.000000000000000 c 0.000000000000000 0.000000000000000 5.748188309999998 Atomic positions (fractional): *1 Br 0.50000000000000 0.56713236423096 0.25000000000000 79.904 > 1 2 Br 0.00000000000000 0.93286763576904 0.75000000000000 79.904 > 2 *3 Br 0.50000000000000 0.72736260175578 0.75000000000000 79.904 > 3 4 Br 0.00000000000000 0.77263739824422 0.25000000000000 79.904 > 4 5 Br 0.00000000000000 0.06713236423096 0.25000000000000 79.904 > 1 6 Br 0.50000000000000 0.43286763576905 0.75000000000000 79.904 > 2 7 Br 0.00000000000000 0.22736260175578 0.75000000000000 79.904 > 3 8 Br 0.50000000000000 0.27263739824422 0.25000000000000 79.904 > 4 *9 Ag 0.00000000000000 0.80040684043123 0.75000000000000 107.868 > 5 10 Ag 0.50000000000000 0.69959315956877 0.25000000000000 107.868 > 6 11 Ag 0.50000000000000 0.30040684043123 0.75000000000000 107.868 > 5 12 Ag 0.00000000000000 0.19959315956877 0.25000000000000 107.868 > 6 *13 Cs 0.50000000000000 0.91295765452185 0.25000000000000 132.905 > 7 14 Cs 0.00000000000000 0.58704234547815 0.75000000000000 132.905 > 8 15 Cs 0.00000000000000 0.41295765452185 0.25000000000000 132.905 > 7 16 Cs 0.50000000000000 0.08704234547815 0.75000000000000 132.905 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.703338859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.637219730000002 0.000000000000000 c 0.000000000000000 0.000000000000000 17.244564929999996 Atomic positions (fractional): *1 Br 0.16666666666667 0.56713236423096 0.08333333333333 79.904 > 1 2 Br 0.50000000000000 0.56713236423096 0.08333333333333 79.904 > 1 3 Br 0.83333333333333 0.56713236423096 0.08333333333333 79.904 > 1 4 Br 0.16666666666667 0.56713236423096 0.41666666666667 79.904 > 1 5 Br 0.50000000000000 0.56713236423096 0.41666666666667 79.904 > 1 6 Br 0.83333333333333 0.56713236423096 0.41666666666667 79.904 > 1 7 Br 0.16666666666667 0.56713236423096 0.75000000000000 79.904 > 1 8 Br 0.50000000000000 0.56713236423096 0.75000000000000 79.904 > 1 9 Br 0.83333333333333 0.56713236423096 0.75000000000000 79.904 > 1 10 Br 0.00000000000000 0.93286763576904 0.25000000000000 79.904 > 2 11 Br 0.33333333333333 0.93286763576904 0.25000000000000 79.904 > 2 12 Br 0.66666666666667 0.93286763576904 0.25000000000000 79.904 > 2 13 Br 0.00000000000000 0.93286763576904 0.58333333333333 79.904 > 2 14 Br 0.33333333333333 0.93286763576904 0.58333333333333 79.904 > 2 15 Br 0.66666666666667 0.93286763576904 0.58333333333333 79.904 > 2 16 Br 0.00000000000000 0.93286763576904 0.91666666666667 79.904 > 2 17 Br 0.33333333333333 0.93286763576904 0.91666666666667 79.904 > 2 18 Br 0.66666666666667 0.93286763576904 0.91666666666667 79.904 > 2 *19 Br 0.16666666666667 0.72736260175578 0.25000000000000 79.904 > 3 20 Br 0.50000000000000 0.72736260175578 0.25000000000000 79.904 > 3 21 Br 0.83333333333333 0.72736260175578 0.25000000000000 79.904 > 3 22 Br 0.16666666666667 0.72736260175578 0.58333333333333 79.904 > 3 23 Br 0.50000000000000 0.72736260175578 0.58333333333333 79.904 > 3 24 Br 0.83333333333333 0.72736260175578 0.58333333333333 79.904 > 3 25 Br 0.16666666666667 0.72736260175578 0.91666666666667 79.904 > 3 26 Br 0.50000000000000 0.72736260175578 0.91666666666667 79.904 > 3 27 Br 0.83333333333333 0.72736260175578 0.91666666666667 79.904 > 3 28 Br 0.00000000000000 0.77263739824422 0.08333333333333 79.904 > 4 29 Br 0.33333333333333 0.77263739824422 0.08333333333333 79.904 > 4 30 Br 0.66666666666667 0.77263739824422 0.08333333333333 79.904 > 4 31 Br 0.00000000000000 0.77263739824422 0.41666666666667 79.904 > 4 32 Br 0.33333333333333 0.77263739824422 0.41666666666667 79.904 > 4 33 Br 0.66666666666667 0.77263739824422 0.41666666666667 79.904 > 4 34 Br 0.00000000000000 0.77263739824422 0.75000000000000 79.904 > 4 35 Br 0.33333333333333 0.77263739824422 0.75000000000000 79.904 > 4 36 Br 0.66666666666667 0.77263739824422 0.75000000000000 79.904 > 4 37 Br 0.00000000000000 0.06713236423096 0.08333333333333 79.904 > 1 38 Br 0.33333333333333 0.06713236423096 0.08333333333333 79.904 > 1 39 Br 0.66666666666667 0.06713236423096 0.08333333333333 79.904 > 1 40 Br 0.00000000000000 0.06713236423096 0.41666666666667 79.904 > 1 41 Br 0.33333333333333 0.06713236423096 0.41666666666667 79.904 > 1 42 Br 0.66666666666667 0.06713236423096 0.41666666666667 79.904 > 1 43 Br 0.00000000000000 0.06713236423096 0.75000000000000 79.904 > 1 44 Br 0.33333333333333 0.06713236423096 0.75000000000000 79.904 > 1 45 Br 0.66666666666667 0.06713236423096 0.75000000000000 79.904 > 1 46 Br 0.16666666666667 0.43286763576905 0.25000000000000 79.904 > 2 47 Br 0.50000000000000 0.43286763576905 0.25000000000000 79.904 > 2 48 Br 0.83333333333333 0.43286763576905 0.25000000000000 79.904 > 2 49 Br 0.16666666666667 0.43286763576905 0.58333333333333 79.904 > 2 50 Br 0.50000000000000 0.43286763576905 0.58333333333333 79.904 > 2 51 Br 0.83333333333333 0.43286763576905 0.58333333333333 79.904 > 2 52 Br 0.16666666666667 0.43286763576905 0.91666666666667 79.904 > 2 53 Br 0.50000000000000 0.43286763576905 0.91666666666667 79.904 > 2 54 Br 0.83333333333333 0.43286763576905 0.91666666666667 79.904 > 2 55 Br 0.00000000000000 0.22736260175578 0.25000000000000 79.904 > 3 56 Br 0.33333333333333 0.22736260175578 0.25000000000000 79.904 > 3 57 Br 0.66666666666667 0.22736260175578 0.25000000000000 79.904 > 3 58 Br 0.00000000000000 0.22736260175578 0.58333333333333 79.904 > 3 59 Br 0.33333333333333 0.22736260175578 0.58333333333333 79.904 > 3 60 Br 0.66666666666667 0.22736260175578 0.58333333333333 79.904 > 3 61 Br 0.00000000000000 0.22736260175578 0.91666666666667 79.904 > 3 62 Br 0.33333333333333 0.22736260175578 0.91666666666667 79.904 > 3 63 Br 0.66666666666667 0.22736260175578 0.91666666666667 79.904 > 3 64 Br 0.16666666666667 0.27263739824422 0.08333333333333 79.904 > 4 65 Br 0.50000000000000 0.27263739824422 0.08333333333333 79.904 > 4 66 Br 0.83333333333333 0.27263739824422 0.08333333333333 79.904 > 4 67 Br 0.16666666666667 0.27263739824422 0.41666666666667 79.904 > 4 68 Br 0.50000000000000 0.27263739824422 0.41666666666667 79.904 > 4 69 Br 0.83333333333333 0.27263739824422 0.41666666666667 79.904 > 4 70 Br 0.16666666666667 0.27263739824422 0.75000000000000 79.904 > 4 71 Br 0.50000000000000 0.27263739824422 0.75000000000000 79.904 > 4 72 Br 0.83333333333333 0.27263739824422 0.75000000000000 79.904 > 4 *73 Ag 0.00000000000000 0.80040684043123 0.25000000000000 107.868 > 5 74 Ag 0.33333333333333 0.80040684043123 0.25000000000000 107.868 > 5 75 Ag 0.66666666666667 0.80040684043123 0.25000000000000 107.868 > 5 76 Ag 0.00000000000000 0.80040684043123 0.58333333333333 107.868 > 5 77 Ag 0.33333333333333 0.80040684043123 0.58333333333333 107.868 > 5 78 Ag 0.66666666666667 0.80040684043123 0.58333333333333 107.868 > 5 79 Ag 0.00000000000000 0.80040684043123 0.91666666666667 107.868 > 5 80 Ag 0.33333333333333 0.80040684043123 0.91666666666667 107.868 > 5 81 Ag 0.66666666666667 0.80040684043123 0.91666666666667 107.868 > 5 82 Ag 0.16666666666667 0.69959315956877 0.08333333333333 107.868 > 6 83 Ag 0.50000000000000 0.69959315956877 0.08333333333333 107.868 > 6 84 Ag 0.83333333333333 0.69959315956877 0.08333333333333 107.868 > 6 85 Ag 0.16666666666667 0.69959315956877 0.41666666666667 107.868 > 6 86 Ag 0.50000000000000 0.69959315956877 0.41666666666667 107.868 > 6 87 Ag 0.83333333333333 0.69959315956877 0.41666666666667 107.868 > 6 88 Ag 0.16666666666667 0.69959315956877 0.75000000000000 107.868 > 6 89 Ag 0.50000000000000 0.69959315956877 0.75000000000000 107.868 > 6 90 Ag 0.83333333333333 0.69959315956877 0.75000000000000 107.868 > 6 91 Ag 0.16666666666667 0.30040684043123 0.25000000000000 107.868 > 5 92 Ag 0.50000000000000 0.30040684043123 0.25000000000000 107.868 > 5 93 Ag 0.83333333333333 0.30040684043123 0.25000000000000 107.868 > 5 94 Ag 0.16666666666667 0.30040684043123 0.58333333333333 107.868 > 5 95 Ag 0.50000000000000 0.30040684043123 0.58333333333333 107.868 > 5 96 Ag 0.83333333333333 0.30040684043123 0.58333333333333 107.868 > 5 97 Ag 0.16666666666667 0.30040684043123 0.91666666666667 107.868 > 5 98 Ag 0.50000000000000 0.30040684043123 0.91666666666667 107.868 > 5 99 Ag 0.83333333333333 0.30040684043123 0.91666666666667 107.868 > 5 100 Ag 0.00000000000000 0.19959315956877 0.08333333333333 107.868 > 6 101 Ag 0.33333333333333 0.19959315956877 0.08333333333333 107.868 > 6 102 Ag 0.66666666666667 0.19959315956877 0.08333333333333 107.868 > 6 103 Ag 0.00000000000000 0.19959315956877 0.41666666666667 107.868 > 6 104 Ag 0.33333333333333 0.19959315956877 0.41666666666667 107.868 > 6 105 Ag 0.66666666666667 0.19959315956877 0.41666666666667 107.868 > 6 106 Ag 0.00000000000000 0.19959315956877 0.75000000000000 107.868 > 6 107 Ag 0.33333333333333 0.19959315956877 0.75000000000000 107.868 > 6 108 Ag 0.66666666666667 0.19959315956877 0.75000000000000 107.868 > 6 *109 Cs 0.16666666666667 0.91295765452185 0.08333333333333 132.905 > 7 110 Cs 0.50000000000000 0.91295765452185 0.08333333333333 132.905 > 7 111 Cs 0.83333333333333 0.91295765452185 0.08333333333333 132.905 > 7 112 Cs 0.16666666666667 0.91295765452185 0.41666666666667 132.905 > 7 113 Cs 0.50000000000000 0.91295765452185 0.41666666666667 132.905 > 7 114 Cs 0.83333333333333 0.91295765452185 0.41666666666667 132.905 > 7 115 Cs 0.16666666666667 0.91295765452185 0.75000000000000 132.905 > 7 116 Cs 0.50000000000000 0.91295765452185 0.75000000000000 132.905 > 7 117 Cs 0.83333333333333 0.91295765452185 0.75000000000000 132.905 > 7 118 Cs 0.00000000000000 0.58704234547815 0.25000000000000 132.905 > 8 119 Cs 0.33333333333333 0.58704234547815 0.25000000000000 132.905 > 8 120 Cs 0.66666666666667 0.58704234547815 0.25000000000000 132.905 > 8 121 Cs 0.00000000000000 0.58704234547815 0.58333333333333 132.905 > 8 122 Cs 0.33333333333333 0.58704234547815 0.58333333333333 132.905 > 8 123 Cs 0.66666666666667 0.58704234547815 0.58333333333333 132.905 > 8 124 Cs 0.00000000000000 0.58704234547815 0.91666666666667 132.905 > 8 125 Cs 0.33333333333333 0.58704234547815 0.91666666666667 132.905 > 8 126 Cs 0.66666666666667 0.58704234547815 0.91666666666667 132.905 > 8 127 Cs 0.00000000000000 0.41295765452185 0.08333333333333 132.905 > 7 128 Cs 0.33333333333333 0.41295765452185 0.08333333333333 132.905 > 7 129 Cs 0.66666666666667 0.41295765452185 0.08333333333333 132.905 > 7 130 Cs 0.00000000000000 0.41295765452185 0.41666666666667 132.905 > 7 131 Cs 0.33333333333333 0.41295765452185 0.41666666666667 132.905 > 7 132 Cs 0.66666666666667 0.41295765452185 0.41666666666667 132.905 > 7 133 Cs 0.00000000000000 0.41295765452185 0.75000000000000 132.905 > 7 134 Cs 0.33333333333333 0.41295765452185 0.75000000000000 132.905 > 7 135 Cs 0.66666666666667 0.41295765452185 0.75000000000000 132.905 > 7 136 Cs 0.16666666666667 0.08704234547815 0.25000000000000 132.905 > 8 137 Cs 0.50000000000000 0.08704234547815 0.25000000000000 132.905 > 8 138 Cs 0.83333333333333 0.08704234547815 0.25000000000000 132.905 > 8 139 Cs 0.16666666666667 0.08704234547815 0.58333333333333 132.905 > 8 140 Cs 0.50000000000000 0.08704234547815 0.58333333333333 132.905 > 8 141 Cs 0.83333333333333 0.08704234547815 0.58333333333333 132.905 > 8 142 Cs 0.16666666666667 0.08704234547815 0.91666666666667 132.905 > 8 143 Cs 0.50000000000000 0.08704234547815 0.91666666666667 132.905 > 8 144 Cs 0.83333333333333 0.08704234547815 0.91666666666667 132.905 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9744469 0.0000000 0.0000000 0.0000000 3.8216981 0.0000000 0.0000000 0.0000000 4.0325015 -------------------------- Born effective charges -------------------------- 1 Br -1.0813788 0.0000000 0.0000000 0.0000000 -1.5294716 0.0000000 0.0000000 0.0000000 -1.1729808 2 Br -1.0813788 0.0000000 0.0000000 0.0000000 -1.5294716 0.0000000 0.0000000 0.0000000 -1.1729808 3 Br -1.5781004 0.0000000 0.0000000 0.0000000 -1.0117598 0.0000000 0.0000000 0.0000000 -1.4804427 4 Br -1.5781004 0.0000000 0.0000000 0.0000000 -1.0117598 0.0000000 0.0000000 0.0000000 -1.4804427 5 Ag 1.2576358 0.0000000 0.0000000 0.0000000 1.1178546 0.0000000 0.0000000 0.0000000 1.3343232 6 Ag 1.2576358 0.0000000 0.0000000 0.0000000 1.1178546 0.0000000 0.0000000 0.0000000 1.3343232 7 Cs 1.4018434 0.0000000 0.0000000 0.0000000 1.4233768 0.0000000 0.0000000 0.0000000 1.3191003 8 Cs 1.4018434 0.0000000 0.0000000 0.0000000 1.4233768 0.0000000 0.0000000 0.0000000 1.3191003 ---------------------------------------------------------------------------- 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: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 800 Number of blocks in projector: 800 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (800, 788), data: False |-- (64, 64), data: True |-- (128, 128), data: True |-- (128, 128), data: True |-- (160, 156), data: True |-- (160, 156), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 160 - Time: 0.919 Solver_block: 160 / 160 - Time: 0.624 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.562 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 6432/6432 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 800 Number of blocks in projector: 800 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 64 Use standard eigh solver. Tree of FC basis block matrices: - (800, 788), data: False |-- (64, 64), data: True |-- (128, 128), data: True |-- (128, 128), data: True |-- (160, 156), data: True |-- (160, 156), data: True |-- (160, 156), 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 05:27:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:27:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.283889810000000 -9.818609865000001 0.000000000000000 b 2.283889810000000 9.818609865000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.748188309999998 Atomic positions (fractional): 1 Br 0.93286763576904 0.06713236423096 0.25000000000000 79.904 2 Br 0.06713236423096 0.93286763576904 0.75000000000000 79.904 3 Br 0.77263739824422 0.22736260175578 0.75000000000000 79.904 4 Br 0.22736260175578 0.77263739824422 0.25000000000000 79.904 5 Ag 0.19959315956877 0.80040684043123 0.75000000000000 107.868 6 Ag 0.80040684043123 0.19959315956877 0.25000000000000 107.868 7 Cs 0.58704234547815 0.41295765452185 0.25000000000000 132.905 8 Cs 0.41295765452185 0.58704234547815 0.75000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.703338859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.637219730000002 0.000000000000000 c 0.000000000000000 0.000000000000000 17.244564929999996 Atomic positions (fractional): 1 Br 0.16666666666667 0.56713236423096 0.08333333333333 79.904 > 1 2 Br 0.50000000000000 0.56713236423096 0.08333333333333 79.904 > 1 3 Br 0.83333333333333 0.56713236423096 0.08333333333333 79.904 > 1 4 Br 0.16666666666667 0.56713236423096 0.41666666666667 79.904 > 1 5 Br 0.50000000000000 0.56713236423096 0.41666666666667 79.904 > 1 6 Br 0.83333333333333 0.56713236423096 0.41666666666667 79.904 > 1 7 Br 0.16666666666667 0.56713236423096 0.75000000000000 79.904 > 1 8 Br 0.50000000000000 0.56713236423096 0.75000000000000 79.904 > 1 9 Br 0.83333333333333 0.56713236423096 0.75000000000000 79.904 > 1 10 Br 0.00000000000000 0.93286763576904 0.25000000000000 79.904 > 10 11 Br 0.33333333333333 0.93286763576904 0.25000000000000 79.904 > 10 12 Br 0.66666666666667 0.93286763576904 0.25000000000000 79.904 > 10 13 Br 0.00000000000000 0.93286763576904 0.58333333333333 79.904 > 10 14 Br 0.33333333333333 0.93286763576904 0.58333333333333 79.904 > 10 15 Br 0.66666666666667 0.93286763576904 0.58333333333333 79.904 > 10 16 Br 0.00000000000000 0.93286763576904 0.91666666666667 79.904 > 10 17 Br 0.33333333333333 0.93286763576904 0.91666666666667 79.904 > 10 18 Br 0.66666666666667 0.93286763576904 0.91666666666667 79.904 > 10 19 Br 0.16666666666667 0.72736260175578 0.25000000000000 79.904 > 19 20 Br 0.50000000000000 0.72736260175578 0.25000000000000 79.904 > 19 21 Br 0.83333333333333 0.72736260175578 0.25000000000000 79.904 > 19 22 Br 0.16666666666667 0.72736260175578 0.58333333333333 79.904 > 19 23 Br 0.50000000000000 0.72736260175578 0.58333333333333 79.904 > 19 24 Br 0.83333333333333 0.72736260175578 0.58333333333333 79.904 > 19 25 Br 0.16666666666667 0.72736260175578 0.91666666666667 79.904 > 19 26 Br 0.50000000000000 0.72736260175578 0.91666666666667 79.904 > 19 27 Br 0.83333333333333 0.72736260175578 0.91666666666667 79.904 > 19 28 Br 0.00000000000000 0.77263739824422 0.08333333333333 79.904 > 28 29 Br 0.33333333333333 0.77263739824422 0.08333333333333 79.904 > 28 30 Br 0.66666666666667 0.77263739824422 0.08333333333333 79.904 > 28 31 Br 0.00000000000000 0.77263739824422 0.41666666666667 79.904 > 28 32 Br 0.33333333333333 0.77263739824422 0.41666666666667 79.904 > 28 33 Br 0.66666666666667 0.77263739824422 0.41666666666667 79.904 > 28 34 Br 0.00000000000000 0.77263739824422 0.75000000000000 79.904 > 28 35 Br 0.33333333333333 0.77263739824422 0.75000000000000 79.904 > 28 36 Br 0.66666666666667 0.77263739824422 0.75000000000000 79.904 > 28 37 Br 0.00000000000000 0.06713236423096 0.08333333333333 79.904 > 1 38 Br 0.33333333333333 0.06713236423096 0.08333333333333 79.904 > 1 39 Br 0.66666666666667 0.06713236423096 0.08333333333333 79.904 > 1 40 Br 0.00000000000000 0.06713236423096 0.41666666666667 79.904 > 1 41 Br 0.33333333333333 0.06713236423096 0.41666666666667 79.904 > 1 42 Br 0.66666666666667 0.06713236423096 0.41666666666667 79.904 > 1 43 Br 0.00000000000000 0.06713236423096 0.75000000000000 79.904 > 1 44 Br 0.33333333333333 0.06713236423096 0.75000000000000 79.904 > 1 45 Br 0.66666666666667 0.06713236423096 0.75000000000000 79.904 > 1 46 Br 0.16666666666667 0.43286763576905 0.25000000000000 79.904 > 10 47 Br 0.50000000000000 0.43286763576905 0.25000000000000 79.904 > 10 48 Br 0.83333333333333 0.43286763576905 0.25000000000000 79.904 > 10 49 Br 0.16666666666667 0.43286763576905 0.58333333333333 79.904 > 10 50 Br 0.50000000000000 0.43286763576905 0.58333333333333 79.904 > 10 51 Br 0.83333333333333 0.43286763576905 0.58333333333333 79.904 > 10 52 Br 0.16666666666667 0.43286763576905 0.91666666666667 79.904 > 10 53 Br 0.50000000000000 0.43286763576905 0.91666666666667 79.904 > 10 54 Br 0.83333333333333 0.43286763576905 0.91666666666667 79.904 > 10 55 Br 0.00000000000000 0.22736260175578 0.25000000000000 79.904 > 19 56 Br 0.33333333333333 0.22736260175578 0.25000000000000 79.904 > 19 57 Br 0.66666666666667 0.22736260175578 0.25000000000000 79.904 > 19 58 Br 0.00000000000000 0.22736260175578 0.58333333333333 79.904 > 19 59 Br 0.33333333333333 0.22736260175578 0.58333333333333 79.904 > 19 60 Br 0.66666666666667 0.22736260175578 0.58333333333333 79.904 > 19 61 Br 0.00000000000000 0.22736260175578 0.91666666666667 79.904 > 19 62 Br 0.33333333333333 0.22736260175578 0.91666666666667 79.904 > 19 63 Br 0.66666666666667 0.22736260175578 0.91666666666667 79.904 > 19 64 Br 0.16666666666667 0.27263739824422 0.08333333333333 79.904 > 28 65 Br 0.50000000000000 0.27263739824422 0.08333333333333 79.904 > 28 66 Br 0.83333333333333 0.27263739824422 0.08333333333333 79.904 > 28 67 Br 0.16666666666667 0.27263739824422 0.41666666666667 79.904 > 28 68 Br 0.50000000000000 0.27263739824422 0.41666666666667 79.904 > 28 69 Br 0.83333333333333 0.27263739824422 0.41666666666667 79.904 > 28 70 Br 0.16666666666667 0.27263739824422 0.75000000000000 79.904 > 28 71 Br 0.50000000000000 0.27263739824422 0.75000000000000 79.904 > 28 72 Br 0.83333333333333 0.27263739824422 0.75000000000000 79.904 > 28 73 Ag 0.00000000000000 0.80040684043123 0.25000000000000 107.868 > 73 74 Ag 0.33333333333333 0.80040684043123 0.25000000000000 107.868 > 73 75 Ag 0.66666666666667 0.80040684043123 0.25000000000000 107.868 > 73 76 Ag 0.00000000000000 0.80040684043123 0.58333333333333 107.868 > 73 77 Ag 0.33333333333333 0.80040684043123 0.58333333333333 107.868 > 73 78 Ag 0.66666666666667 0.80040684043123 0.58333333333333 107.868 > 73 79 Ag 0.00000000000000 0.80040684043123 0.91666666666667 107.868 > 73 80 Ag 0.33333333333333 0.80040684043123 0.91666666666667 107.868 > 73 81 Ag 0.66666666666667 0.80040684043123 0.91666666666667 107.868 > 73 82 Ag 0.16666666666667 0.69959315956877 0.08333333333333 107.868 > 82 83 Ag 0.50000000000000 0.69959315956877 0.08333333333333 107.868 > 82 84 Ag 0.83333333333333 0.69959315956877 0.08333333333333 107.868 > 82 85 Ag 0.16666666666667 0.69959315956877 0.41666666666667 107.868 > 82 86 Ag 0.50000000000000 0.69959315956877 0.41666666666667 107.868 > 82 87 Ag 0.83333333333333 0.69959315956877 0.41666666666667 107.868 > 82 88 Ag 0.16666666666667 0.69959315956877 0.75000000000000 107.868 > 82 89 Ag 0.50000000000000 0.69959315956877 0.75000000000000 107.868 > 82 90 Ag 0.83333333333333 0.69959315956877 0.75000000000000 107.868 > 82 91 Ag 0.16666666666667 0.30040684043123 0.25000000000000 107.868 > 73 92 Ag 0.50000000000000 0.30040684043123 0.25000000000000 107.868 > 73 93 Ag 0.83333333333333 0.30040684043123 0.25000000000000 107.868 > 73 94 Ag 0.16666666666667 0.30040684043123 0.58333333333333 107.868 > 73 95 Ag 0.50000000000000 0.30040684043123 0.58333333333333 107.868 > 73 96 Ag 0.83333333333333 0.30040684043123 0.58333333333333 107.868 > 73 97 Ag 0.16666666666667 0.30040684043123 0.91666666666667 107.868 > 73 98 Ag 0.50000000000000 0.30040684043123 0.91666666666667 107.868 > 73 99 Ag 0.83333333333333 0.30040684043123 0.91666666666667 107.868 > 73 100 Ag 0.00000000000000 0.19959315956877 0.08333333333333 107.868 > 82 101 Ag 0.33333333333333 0.19959315956877 0.08333333333333 107.868 > 82 102 Ag 0.66666666666667 0.19959315956877 0.08333333333333 107.868 > 82 103 Ag 0.00000000000000 0.19959315956877 0.41666666666667 107.868 > 82 104 Ag 0.33333333333333 0.19959315956877 0.41666666666667 107.868 > 82 105 Ag 0.66666666666667 0.19959315956877 0.41666666666667 107.868 > 82 106 Ag 0.00000000000000 0.19959315956877 0.75000000000000 107.868 > 82 107 Ag 0.33333333333333 0.19959315956877 0.75000000000000 107.868 > 82 108 Ag 0.66666666666667 0.19959315956877 0.75000000000000 107.868 > 82 109 Cs 0.16666666666667 0.91295765452185 0.08333333333333 132.905 > 109 110 Cs 0.50000000000000 0.91295765452185 0.08333333333333 132.905 > 109 111 Cs 0.83333333333333 0.91295765452185 0.08333333333333 132.905 > 109 112 Cs 0.16666666666667 0.91295765452185 0.41666666666667 132.905 > 109 113 Cs 0.50000000000000 0.91295765452185 0.41666666666667 132.905 > 109 114 Cs 0.83333333333333 0.91295765452185 0.41666666666667 132.905 > 109 115 Cs 0.16666666666667 0.91295765452185 0.75000000000000 132.905 > 109 116 Cs 0.50000000000000 0.91295765452185 0.75000000000000 132.905 > 109 117 Cs 0.83333333333333 0.91295765452185 0.75000000000000 132.905 > 109 118 Cs 0.00000000000000 0.58704234547815 0.25000000000000 132.905 > 118 119 Cs 0.33333333333333 0.58704234547815 0.25000000000000 132.905 > 118 120 Cs 0.66666666666667 0.58704234547815 0.25000000000000 132.905 > 118 121 Cs 0.00000000000000 0.58704234547815 0.58333333333333 132.905 > 118 122 Cs 0.33333333333333 0.58704234547815 0.58333333333333 132.905 > 118 123 Cs 0.66666666666667 0.58704234547815 0.58333333333333 132.905 > 118 124 Cs 0.00000000000000 0.58704234547815 0.91666666666667 132.905 > 118 125 Cs 0.33333333333333 0.58704234547815 0.91666666666667 132.905 > 118 126 Cs 0.66666666666667 0.58704234547815 0.91666666666667 132.905 > 118 127 Cs 0.00000000000000 0.41295765452185 0.08333333333333 132.905 > 109 128 Cs 0.33333333333333 0.41295765452185 0.08333333333333 132.905 > 109 129 Cs 0.66666666666667 0.41295765452185 0.08333333333333 132.905 > 109 130 Cs 0.00000000000000 0.41295765452185 0.41666666666667 132.905 > 109 131 Cs 0.33333333333333 0.41295765452185 0.41666666666667 132.905 > 109 132 Cs 0.66666666666667 0.41295765452185 0.41666666666667 132.905 > 109 133 Cs 0.00000000000000 0.41295765452185 0.75000000000000 132.905 > 109 134 Cs 0.33333333333333 0.41295765452185 0.75000000000000 132.905 > 109 135 Cs 0.66666666666667 0.41295765452185 0.75000000000000 132.905 > 109 136 Cs 0.16666666666667 0.08704234547815 0.25000000000000 132.905 > 118 137 Cs 0.50000000000000 0.08704234547815 0.25000000000000 132.905 > 118 138 Cs 0.83333333333333 0.08704234547815 0.25000000000000 132.905 > 118 139 Cs 0.16666666666667 0.08704234547815 0.58333333333333 132.905 > 118 140 Cs 0.50000000000000 0.08704234547815 0.58333333333333 132.905 > 118 141 Cs 0.83333333333333 0.08704234547815 0.58333333333333 132.905 > 118 142 Cs 0.16666666666667 0.08704234547815 0.91666666666667 132.905 > 118 143 Cs 0.50000000000000 0.08704234547815 0.91666666666667 132.905 > 118 144 Cs 0.83333333333333 0.08704234547815 0.91666666666667 132.905 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9744469 0.0000000 0.0000000 0.0000000 3.8216981 0.0000000 0.0000000 0.0000000 4.0325015 -------------------------- Born effective charges -------------------------- 1 Br -1.0813788 0.0000000 0.0000000 0.0000000 -1.5294716 0.0000000 0.0000000 0.0000000 -1.1729808 2 Br -1.0813788 0.0000000 0.0000000 0.0000000 -1.5294716 0.0000000 0.0000000 0.0000000 -1.1729808 3 Br -1.5781004 0.0000000 0.0000000 0.0000000 -1.0117598 0.0000000 0.0000000 0.0000000 -1.4804427 4 Br -1.5781004 0.0000000 0.0000000 0.0000000 -1.0117598 0.0000000 0.0000000 0.0000000 -1.4804427 5 Ag 1.2576358 0.0000000 0.0000000 0.0000000 1.1178546 0.0000000 0.0000000 0.0000000 1.3343232 6 Ag 1.2576358 0.0000000 0.0000000 0.0000000 1.1178546 0.0000000 0.0000000 0.0000000 1.3343232 7 Cs 1.4018434 0.0000000 0.0000000 0.0000000 1.4233768 0.0000000 0.0000000 0.0000000 1.3191003 8 Cs 1.4018434 0.0000000 0.0000000 0.0000000 1.4233768 0.0000000 0.0000000 0.0000000 1.3191003 ---------------------------------------------------------------------------- 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[ 19, 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 0.0100 0.0000] [ 0.0000 -0.0100 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:27:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:27:59]------------------------- 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 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.283889810000000 -9.818609865000001 0.000000000000000 b 2.283889810000000 9.818609865000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.748188309999998 Atomic positions (fractional): 1 Br 0.93286763576904 0.06713236423096 0.25000000000000 79.904 2 Br 0.06713236423096 0.93286763576904 0.75000000000000 79.904 3 Br 0.77263739824422 0.22736260175578 0.75000000000000 79.904 4 Br 0.22736260175578 0.77263739824422 0.25000000000000 79.904 5 Ag 0.19959315956877 0.80040684043123 0.75000000000000 107.868 6 Ag 0.80040684043123 0.19959315956877 0.25000000000000 107.868 7 Cs 0.58704234547815 0.41295765452185 0.25000000000000 132.905 8 Cs 0.41295765452185 0.58704234547815 0.75000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.703338859999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.637219730000002 0.000000000000000 c 0.000000000000000 0.000000000000000 17.244564929999996 Atomic positions (fractional): 1 Br 0.16666666666667 0.56713236423096 0.08333333333333 79.904 > 1 2 Br 0.50000000000000 0.56713236423096 0.08333333333333 79.904 > 1 3 Br 0.83333333333333 0.56713236423096 0.08333333333333 79.904 > 1 4 Br 0.16666666666667 0.56713236423096 0.41666666666667 79.904 > 1 5 Br 0.50000000000000 0.56713236423096 0.41666666666667 79.904 > 1 6 Br 0.83333333333333 0.56713236423096 0.41666666666667 79.904 > 1 7 Br 0.16666666666667 0.56713236423096 0.75000000000000 79.904 > 1 8 Br 0.50000000000000 0.56713236423096 0.75000000000000 79.904 > 1 9 Br 0.83333333333333 0.56713236423096 0.75000000000000 79.904 > 1 10 Br 0.00000000000000 0.93286763576904 0.25000000000000 79.904 > 10 11 Br 0.33333333333333 0.93286763576904 0.25000000000000 79.904 > 10 12 Br 0.66666666666667 0.93286763576904 0.25000000000000 79.904 > 10 13 Br 0.00000000000000 0.93286763576904 0.58333333333333 79.904 > 10 14 Br 0.33333333333333 0.93286763576904 0.58333333333333 79.904 > 10 15 Br 0.66666666666667 0.93286763576904 0.58333333333333 79.904 > 10 16 Br 0.00000000000000 0.93286763576904 0.91666666666667 79.904 > 10 17 Br 0.33333333333333 0.93286763576904 0.91666666666667 79.904 > 10 18 Br 0.66666666666667 0.93286763576904 0.91666666666667 79.904 > 10 19 Br 0.16666666666667 0.72736260175578 0.25000000000000 79.904 > 19 20 Br 0.50000000000000 0.72736260175578 0.25000000000000 79.904 > 19 21 Br 0.83333333333333 0.72736260175578 0.25000000000000 79.904 > 19 22 Br 0.16666666666667 0.72736260175578 0.58333333333333 79.904 > 19 23 Br 0.50000000000000 0.72736260175578 0.58333333333333 79.904 > 19 24 Br 0.83333333333333 0.72736260175578 0.58333333333333 79.904 > 19 25 Br 0.16666666666667 0.72736260175578 0.91666666666667 79.904 > 19 26 Br 0.50000000000000 0.72736260175578 0.91666666666667 79.904 > 19 27 Br 0.83333333333333 0.72736260175578 0.91666666666667 79.904 > 19 28 Br 0.00000000000000 0.77263739824422 0.08333333333333 79.904 > 28 29 Br 0.33333333333333 0.77263739824422 0.08333333333333 79.904 > 28 30 Br 0.66666666666667 0.77263739824422 0.08333333333333 79.904 > 28 31 Br 0.00000000000000 0.77263739824422 0.41666666666667 79.904 > 28 32 Br 0.33333333333333 0.77263739824422 0.41666666666667 79.904 > 28 33 Br 0.66666666666667 0.77263739824422 0.41666666666667 79.904 > 28 34 Br 0.00000000000000 0.77263739824422 0.75000000000000 79.904 > 28 35 Br 0.33333333333333 0.77263739824422 0.75000000000000 79.904 > 28 36 Br 0.66666666666667 0.77263739824422 0.75000000000000 79.904 > 28 37 Br 0.00000000000000 0.06713236423096 0.08333333333333 79.904 > 1 38 Br 0.33333333333333 0.06713236423096 0.08333333333333 79.904 > 1 39 Br 0.66666666666667 0.06713236423096 0.08333333333333 79.904 > 1 40 Br 0.00000000000000 0.06713236423096 0.41666666666667 79.904 > 1 41 Br 0.33333333333333 0.06713236423096 0.41666666666667 79.904 > 1 42 Br 0.66666666666667 0.06713236423096 0.41666666666667 79.904 > 1 43 Br 0.00000000000000 0.06713236423096 0.75000000000000 79.904 > 1 44 Br 0.33333333333333 0.06713236423096 0.75000000000000 79.904 > 1 45 Br 0.66666666666667 0.06713236423096 0.75000000000000 79.904 > 1 46 Br 0.16666666666667 0.43286763576905 0.25000000000000 79.904 > 10 47 Br 0.50000000000000 0.43286763576905 0.25000000000000 79.904 > 10 48 Br 0.83333333333333 0.43286763576905 0.25000000000000 79.904 > 10 49 Br 0.16666666666667 0.43286763576905 0.58333333333333 79.904 > 10 50 Br 0.50000000000000 0.43286763576905 0.58333333333333 79.904 > 10 51 Br 0.83333333333333 0.43286763576905 0.58333333333333 79.904 > 10 52 Br 0.16666666666667 0.43286763576905 0.91666666666667 79.904 > 10 53 Br 0.50000000000000 0.43286763576905 0.91666666666667 79.904 > 10 54 Br 0.83333333333333 0.43286763576905 0.91666666666667 79.904 > 10 55 Br 0.00000000000000 0.22736260175578 0.25000000000000 79.904 > 19 56 Br 0.33333333333333 0.22736260175578 0.25000000000000 79.904 > 19 57 Br 0.66666666666667 0.22736260175578 0.25000000000000 79.904 > 19 58 Br 0.00000000000000 0.22736260175578 0.58333333333333 79.904 > 19 59 Br 0.33333333333333 0.22736260175578 0.58333333333333 79.904 > 19 60 Br 0.66666666666667 0.22736260175578 0.58333333333333 79.904 > 19 61 Br 0.00000000000000 0.22736260175578 0.91666666666667 79.904 > 19 62 Br 0.33333333333333 0.22736260175578 0.91666666666667 79.904 > 19 63 Br 0.66666666666667 0.22736260175578 0.91666666666667 79.904 > 19 64 Br 0.16666666666667 0.27263739824422 0.08333333333333 79.904 > 28 65 Br 0.50000000000000 0.27263739824422 0.08333333333333 79.904 > 28 66 Br 0.83333333333333 0.27263739824422 0.08333333333333 79.904 > 28 67 Br 0.16666666666667 0.27263739824422 0.41666666666667 79.904 > 28 68 Br 0.50000000000000 0.27263739824422 0.41666666666667 79.904 > 28 69 Br 0.83333333333333 0.27263739824422 0.41666666666667 79.904 > 28 70 Br 0.16666666666667 0.27263739824422 0.75000000000000 79.904 > 28 71 Br 0.50000000000000 0.27263739824422 0.75000000000000 79.904 > 28 72 Br 0.83333333333333 0.27263739824422 0.75000000000000 79.904 > 28 73 Ag 0.00000000000000 0.80040684043123 0.25000000000000 107.868 > 73 74 Ag 0.33333333333333 0.80040684043123 0.25000000000000 107.868 > 73 75 Ag 0.66666666666667 0.80040684043123 0.25000000000000 107.868 > 73 76 Ag 0.00000000000000 0.80040684043123 0.58333333333333 107.868 > 73 77 Ag 0.33333333333333 0.80040684043123 0.58333333333333 107.868 > 73 78 Ag 0.66666666666667 0.80040684043123 0.58333333333333 107.868 > 73 79 Ag 0.00000000000000 0.80040684043123 0.91666666666667 107.868 > 73 80 Ag 0.33333333333333 0.80040684043123 0.91666666666667 107.868 > 73 81 Ag 0.66666666666667 0.80040684043123 0.91666666666667 107.868 > 73 82 Ag 0.16666666666667 0.69959315956877 0.08333333333333 107.868 > 82 83 Ag 0.50000000000000 0.69959315956877 0.08333333333333 107.868 > 82 84 Ag 0.83333333333333 0.69959315956877 0.08333333333333 107.868 > 82 85 Ag 0.16666666666667 0.69959315956877 0.41666666666667 107.868 > 82 86 Ag 0.50000000000000 0.69959315956877 0.41666666666667 107.868 > 82 87 Ag 0.83333333333333 0.69959315956877 0.41666666666667 107.868 > 82 88 Ag 0.16666666666667 0.69959315956877 0.75000000000000 107.868 > 82 89 Ag 0.50000000000000 0.69959315956877 0.75000000000000 107.868 > 82 90 Ag 0.83333333333333 0.69959315956877 0.75000000000000 107.868 > 82 91 Ag 0.16666666666667 0.30040684043123 0.25000000000000 107.868 > 73 92 Ag 0.50000000000000 0.30040684043123 0.25000000000000 107.868 > 73 93 Ag 0.83333333333333 0.30040684043123 0.25000000000000 107.868 > 73 94 Ag 0.16666666666667 0.30040684043123 0.58333333333333 107.868 > 73 95 Ag 0.50000000000000 0.30040684043123 0.58333333333333 107.868 > 73 96 Ag 0.83333333333333 0.30040684043123 0.58333333333333 107.868 > 73 97 Ag 0.16666666666667 0.30040684043123 0.91666666666667 107.868 > 73 98 Ag 0.50000000000000 0.30040684043123 0.91666666666667 107.868 > 73 99 Ag 0.83333333333333 0.30040684043123 0.91666666666667 107.868 > 73 100 Ag 0.00000000000000 0.19959315956877 0.08333333333333 107.868 > 82 101 Ag 0.33333333333333 0.19959315956877 0.08333333333333 107.868 > 82 102 Ag 0.66666666666667 0.19959315956877 0.08333333333333 107.868 > 82 103 Ag 0.00000000000000 0.19959315956877 0.41666666666667 107.868 > 82 104 Ag 0.33333333333333 0.19959315956877 0.41666666666667 107.868 > 82 105 Ag 0.66666666666667 0.19959315956877 0.41666666666667 107.868 > 82 106 Ag 0.00000000000000 0.19959315956877 0.75000000000000 107.868 > 82 107 Ag 0.33333333333333 0.19959315956877 0.75000000000000 107.868 > 82 108 Ag 0.66666666666667 0.19959315956877 0.75000000000000 107.868 > 82 109 Cs 0.16666666666667 0.91295765452185 0.08333333333333 132.905 > 109 110 Cs 0.50000000000000 0.91295765452185 0.08333333333333 132.905 > 109 111 Cs 0.83333333333333 0.91295765452185 0.08333333333333 132.905 > 109 112 Cs 0.16666666666667 0.91295765452185 0.41666666666667 132.905 > 109 113 Cs 0.50000000000000 0.91295765452185 0.41666666666667 132.905 > 109 114 Cs 0.83333333333333 0.91295765452185 0.41666666666667 132.905 > 109 115 Cs 0.16666666666667 0.91295765452185 0.75000000000000 132.905 > 109 116 Cs 0.50000000000000 0.91295765452185 0.75000000000000 132.905 > 109 117 Cs 0.83333333333333 0.91295765452185 0.75000000000000 132.905 > 109 118 Cs 0.00000000000000 0.58704234547815 0.25000000000000 132.905 > 118 119 Cs 0.33333333333333 0.58704234547815 0.25000000000000 132.905 > 118 120 Cs 0.66666666666667 0.58704234547815 0.25000000000000 132.905 > 118 121 Cs 0.00000000000000 0.58704234547815 0.58333333333333 132.905 > 118 122 Cs 0.33333333333333 0.58704234547815 0.58333333333333 132.905 > 118 123 Cs 0.66666666666667 0.58704234547815 0.58333333333333 132.905 > 118 124 Cs 0.00000000000000 0.58704234547815 0.91666666666667 132.905 > 118 125 Cs 0.33333333333333 0.58704234547815 0.91666666666667 132.905 > 118 126 Cs 0.66666666666667 0.58704234547815 0.91666666666667 132.905 > 118 127 Cs 0.00000000000000 0.41295765452185 0.08333333333333 132.905 > 109 128 Cs 0.33333333333333 0.41295765452185 0.08333333333333 132.905 > 109 129 Cs 0.66666666666667 0.41295765452185 0.08333333333333 132.905 > 109 130 Cs 0.00000000000000 0.41295765452185 0.41666666666667 132.905 > 109 131 Cs 0.33333333333333 0.41295765452185 0.41666666666667 132.905 > 109 132 Cs 0.66666666666667 0.41295765452185 0.41666666666667 132.905 > 109 133 Cs 0.00000000000000 0.41295765452185 0.75000000000000 132.905 > 109 134 Cs 0.33333333333333 0.41295765452185 0.75000000000000 132.905 > 109 135 Cs 0.66666666666667 0.41295765452185 0.75000000000000 132.905 > 109 136 Cs 0.16666666666667 0.08704234547815 0.25000000000000 132.905 > 118 137 Cs 0.50000000000000 0.08704234547815 0.25000000000000 132.905 > 118 138 Cs 0.83333333333333 0.08704234547815 0.25000000000000 132.905 > 118 139 Cs 0.16666666666667 0.08704234547815 0.58333333333333 132.905 > 118 140 Cs 0.50000000000000 0.08704234547815 0.58333333333333 132.905 > 118 141 Cs 0.83333333333333 0.08704234547815 0.58333333333333 132.905 > 118 142 Cs 0.16666666666667 0.08704234547815 0.91666666666667 132.905 > 118 143 Cs 0.50000000000000 0.08704234547815 0.91666666666667 132.905 > 118 144 Cs 0.83333333333333 0.08704234547815 0.91666666666667 132.905 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9744469 0.0000000 0.0000000 0.0000000 3.8216981 0.0000000 0.0000000 0.0000000 4.0325015 -------------------------- Born effective charges -------------------------- 1 Br -1.0813788 0.0000000 0.0000000 0.0000000 -1.5294716 0.0000000 0.0000000 0.0000000 -1.1729808 2 Br -1.0813788 0.0000000 0.0000000 0.0000000 -1.5294716 0.0000000 0.0000000 0.0000000 -1.1729808 3 Br -1.5781004 0.0000000 0.0000000 0.0000000 -1.0117598 0.0000000 0.0000000 0.0000000 -1.4804427 4 Br -1.5781004 0.0000000 0.0000000 0.0000000 -1.0117598 0.0000000 0.0000000 0.0000000 -1.4804427 5 Ag 1.2576358 0.0000000 0.0000000 0.0000000 1.1178546 0.0000000 0.0000000 0.0000000 1.3343232 6 Ag 1.2576358 0.0000000 0.0000000 0.0000000 1.1178546 0.0000000 0.0000000 0.0000000 1.3343232 7 Cs 1.4018434 0.0000000 0.0000000 0.0000000 1.4233768 0.0000000 0.0000000 0.0000000 1.3191003 8 Cs 1.4018434 0.0000000 0.0000000 0.0000000 1.4233768 0.0000000 0.0000000 0.0000000 1.3191003 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) 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 ... [ 11 11 9 ] 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: 0.65, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 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 0.749 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.054 ( 0.000 0.000 0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.150 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 9.467 -3.870 0.000) 10.228 0.290 ( 13.776 -1.647 0.000) 13.874 0.448 ( 19.571 -4.939 0.000) 20.184 0.775 ( 2.803 1.055 0.000) 2.995 0.961 ( -2.847 1.860 0.000) 3.401 1.031 ( 2.136 -0.413 0.000) 2.176 1.059 ( 6.260 -0.880 0.000) 6.322 1.150 ( 0.008 0.026 0.000) 0.028 1.255 ( 7.792 -0.780 0.000) 7.831 1.425 ( 1.544 -0.369 0.000) 1.588 1.622 ( -0.203 -2.263 0.000) 2.272 1.694 ( 3.156 -1.134 0.000) 3.354 1.740 ( 2.008 -0.532 0.000) 2.077 1.959 ( -0.119 2.061 0.000) 2.064 2.206 ( 0.854 4.614 0.000) 4.692 2.265 ( -0.359 -4.050 0.000) 4.066 2.278 ( 1.909 5.184 0.000) 5.525 2.967 ( 1.511 0.275 0.000) 1.536 3.329 ( -0.419 -1.958 0.000) 2.003 3.662 ( -2.778 0.004 0.000) 2.778 4.123 ( 4.076 19.869 0.000) 20.283 4.229 ( -0.771 -2.806 0.000) 2.910 4.471 ( -1.951 -15.221 0.000) 15.345 4.781 ( -0.965 -0.007 0.000) 0.965 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 10.887 -1.143 0.000) 10.947 0.555 ( 11.960 -1.378 0.000) 12.039 0.728 ( 5.090 -2.205 0.000) 5.547 0.844 ( 4.543 1.545 0.000) 4.799 1.045 ( 13.316 -1.132 0.000) 13.364 1.082 ( 2.111 -0.741 0.000) 2.237 1.158 ( 1.332 0.164 0.000) 1.343 1.218 ( 8.522 -0.716 0.000) 8.552 1.398 ( 6.157 -0.314 0.000) 6.165 1.434 ( -1.338 -0.815 0.000) 1.567 1.667 ( 3.837 -1.811 0.000) 4.243 1.767 ( 3.469 0.227 0.000) 3.476 1.786 ( 1.732 -1.223 0.000) 2.121 1.941 ( -0.571 2.353 0.000) 2.422 2.192 ( 0.012 5.381 0.000) 5.381 2.294 ( 1.743 4.044 0.000) 4.403 2.304 ( 2.872 -4.132 0.000) 5.032 3.016 ( 3.690 0.493 0.000) 3.722 3.336 ( 0.475 -1.333 0.000) 1.415 3.580 ( -5.383 0.009 0.000) 5.383 4.114 ( 1.049 5.957 0.000) 6.049 4.214 ( -2.173 -2.698 0.000) 3.465 4.512 ( 1.530 -3.407 0.000) 3.735 4.757 ( -1.176 0.342 0.000) 1.225 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 9.966 3.740 0.000) 10.645 0.769 ( 8.652 -0.907 0.000) 8.699 0.808 ( 4.366 -3.034 0.000) 5.317 0.939 ( 5.753 1.541 0.000) 5.956 1.099 ( -0.439 -0.715 0.000) 0.839 1.215 ( 3.980 0.009 0.000) 3.980 1.322 ( 5.137 -0.107 0.000) 5.138 1.369 ( 5.561 -1.889 0.000) 5.873 1.433 ( 6.753 -1.934 0.000) 7.024 1.506 ( 5.242 -0.213 0.000) 5.246 1.773 ( 5.876 0.242 0.000) 5.881 1.803 ( 0.341 2.981 0.000) 3.000 1.804 ( -0.678 -1.616 0.000) 1.752 1.925 ( -0.414 -1.733 0.000) 1.782 2.160 ( -1.030 3.525 0.000) 3.672 2.304 ( 0.745 3.364 0.000) 3.445 2.425 ( 7.777 -1.949 0.000) 8.018 3.109 ( 5.874 0.674 0.000) 5.912 3.364 ( 1.786 -0.874 0.000) 1.989 3.450 ( -7.680 0.022 0.000) 7.680 4.105 ( -0.962 -0.741 0.000) 1.214 4.170 ( -2.732 -0.523 0.000) 2.782 4.552 ( 1.577 0.446 0.000) 1.639 4.738 ( -0.359 0.477 0.000) 0.597 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 7.665 6.343 0.000) 9.949 0.904 ( 4.892 -0.309 0.000) 4.902 0.937 ( 5.688 -3.058 0.000) 6.459 1.041 ( 3.261 1.609 0.000) 3.637 1.098 ( 1.432 -1.131 0.000) 1.825 1.278 ( -4.140 -4.440 0.000) 6.071 1.293 ( 3.466 -0.079 0.000) 3.467 1.474 ( 3.736 1.925 0.000) 4.203 1.541 ( 1.675 0.885 0.000) 1.895 1.703 ( 9.410 -1.565 0.000) 9.539 1.755 ( -0.511 3.608 0.000) 3.644 1.780 ( -2.160 -1.287 0.000) 2.514 1.902 ( 6.806 0.432 0.000) 6.820 1.938 ( -0.256 -4.687 0.000) 4.694 2.124 ( -1.220 1.970 0.000) 2.317 2.281 ( -1.791 3.148 0.000) 3.622 2.619 ( 10.722 -0.824 0.000) 10.753 3.235 ( 6.752 0.699 0.000) 6.788 3.277 ( -9.568 0.063 0.000) 9.568 3.405 ( 1.607 -0.727 0.000) 1.764 4.074 ( -2.943 -2.990 0.000) 4.196 4.123 ( -1.694 0.655 0.000) 1.816 4.568 ( 0.728 1.891 0.000) 2.026 4.739 ( 0.408 0.105 0.000) 0.421 ======================= Grid point 5 (6/180) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 6.410 4.540 0.000) 7.855 0.981 ( 3.046 -0.167 0.000) 3.051 0.986 ( -2.524 -2.017 0.000) 3.231 1.032 ( -1.855 0.402 0.000) 1.898 1.164 ( 2.452 -0.123 0.000) 2.455 1.276 ( 1.680 -4.258 0.000) 4.577 1.344 ( 1.358 -0.041 0.000) 1.359 1.479 ( -1.954 2.564 0.000) 3.224 1.549 ( 0.626 0.890 0.000) 1.088 1.705 ( -0.620 -0.043 0.000) 0.621 1.746 ( -1.245 -0.490 0.000) 1.338 1.874 ( 4.840 3.071 0.000) 5.732 1.945 ( -1.160 -4.436 0.000) 4.586 2.052 ( 7.586 -2.017 0.000) 7.850 2.099 ( -0.548 0.640 0.000) 0.843 2.198 ( -5.188 2.984 0.000) 5.985 2.846 ( 11.485 -0.364 0.000) 11.490 3.072 ( -10.918 0.160 0.000) 10.919 3.354 ( 5.079 0.666 0.000) 5.123 3.416 ( -1.270 -0.681 0.000) 1.441 4.033 ( -1.557 -0.982 0.000) 1.841 4.097 ( -0.731 -0.110 0.000) 0.740 4.570 ( 0.204 0.994 0.000) 1.014 4.747 ( 0.252 -0.033 0.000) 0.255 ======================= Grid point 12 (7/180) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 11.903 -0.000 0.000) 11.903 0.549 ( 12.201 -0.000 0.000) 12.201 0.717 ( 5.914 -0.000 0.000) 5.914 0.851 ( 4.422 -0.000 0.000) 4.422 1.040 ( 12.998 -0.000 0.000) 12.998 1.079 ( 2.138 -0.000 0.000) 2.138 1.159 ( 1.336 -0.000 0.000) 1.336 1.214 ( 8.191 -0.000 0.000) 8.191 1.397 ( 6.344 -0.000 0.000) 6.344 1.430 ( -1.307 0.000 0.000) 1.307 1.657 ( 4.272 -0.000 0.000) 4.272 1.768 ( 3.877 -0.000 0.000) 3.877 1.780 ( 1.715 -0.000 0.000) 1.715 1.952 ( -1.191 0.000 0.000) 1.191 2.226 ( -1.686 0.000 0.000) 1.686 2.276 ( 4.575 -0.000 0.000) 4.575 2.314 ( 1.113 -0.000 0.000) 1.113 3.018 ( 3.693 -0.000 0.000) 3.693 3.329 ( 0.763 -0.000 0.000) 0.763 3.580 ( -5.382 0.000 0.000) 5.382 4.153 ( -2.712 0.000 0.000) 2.712 4.190 ( -0.624 0.000 0.000) 0.624 4.495 ( 3.427 -0.000 0.000) 3.427 4.759 ( -1.119 0.000 0.000) 1.119 ======================= Grid point 13 (8/180) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 11.929 1.637 0.000) 12.040 0.763 ( 8.932 -0.313 0.000) 8.938 0.787 ( 3.369 -1.315 0.000) 3.616 0.949 ( 5.606 0.577 0.000) 5.635 1.094 ( -0.424 -0.295 0.000) 0.517 1.215 ( 3.918 0.003 0.000) 3.918 1.316 ( -0.587 -0.798 0.000) 0.991 1.361 ( 15.076 -0.085 0.000) 15.076 1.421 ( 3.493 -0.666 0.000) 3.555 1.505 ( 4.972 0.018 0.000) 4.972 1.772 ( 6.600 -0.200 0.000) 6.603 1.794 ( -0.534 -0.554 0.000) 0.769 1.829 ( 1.981 1.928 0.000) 2.764 1.909 ( -2.985 -1.285 0.000) 3.250 2.184 ( -1.991 1.391 0.000) 2.429 2.326 ( 0.327 1.291 0.000) 1.332 2.411 ( 8.568 -0.852 0.000) 8.611 3.114 ( 5.858 0.271 0.000) 5.864 3.358 ( 1.949 -0.331 0.000) 1.977 3.450 ( -7.674 0.008 0.000) 7.674 4.098 ( -2.670 -0.463 0.000) 2.710 4.168 ( -1.740 -0.033 0.000) 1.740 4.555 ( 2.351 0.161 0.000) 2.357 4.741 ( -0.466 0.177 0.000) 0.499 ======================= Grid point 14 (9/180) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 7.237 5.621 0.000) 9.164 0.901 ( 5.059 -0.171 0.000) 5.062 0.907 ( 6.875 -3.441 0.000) 7.688 1.057 ( 3.098 1.654 0.000) 3.512 1.086 ( 1.454 -1.384 0.000) 2.007 1.243 ( -4.841 -2.904 0.000) 5.645 1.293 ( 3.466 -0.047 0.000) 3.467 1.489 ( 3.257 1.129 0.000) 3.447 1.547 ( 2.555 0.521 0.000) 2.608 1.691 ( 11.076 -0.892 0.000) 11.112 1.770 ( -1.865 -0.714 0.000) 1.997 1.791 ( -1.935 4.151 0.000) 4.580 1.894 ( -0.427 -4.740 0.000) 4.759 1.906 ( 6.377 0.236 0.000) 6.381 2.139 ( -1.858 1.139 0.000) 2.180 2.305 ( -2.070 1.795 0.000) 2.740 2.613 ( 11.035 -0.508 0.000) 11.047 3.240 ( 6.703 0.434 0.000) 6.717 3.278 ( -9.547 0.037 0.000) 9.547 3.400 ( 1.665 -0.440 0.000) 1.722 4.052 ( -2.450 -1.764 0.000) 3.019 4.128 ( -1.956 0.413 0.000) 1.999 4.582 ( 0.710 1.062 0.000) 1.278 4.740 ( 0.268 0.055 0.000) 0.273 ======================= Grid point 15 (10/180) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 4.661 3.894 0.000) 6.073 0.969 ( -2.741 -1.587 0.000) 3.167 0.980 ( 3.024 -0.122 0.000) 3.027 1.035 ( -2.070 0.306 0.000) 2.092 1.163 ( 2.608 -0.100 0.000) 2.610 1.239 ( 3.842 -3.517 0.000) 5.208 1.343 ( 1.391 -0.031 0.000) 1.391 1.504 ( -1.872 2.604 0.000) 3.207 1.553 ( -0.729 -0.099 0.000) 0.735 1.711 ( -0.614 1.161 0.000) 1.313 1.742 ( -0.847 -0.366 0.000) 0.923 1.879 ( -0.419 -2.667 0.000) 2.700 1.927 ( 5.831 1.245 0.000) 5.962 2.033 ( 6.261 -2.061 0.000) 6.591 2.104 ( -1.095 0.482 0.000) 1.197 2.221 ( -5.527 1.954 0.000) 5.862 2.843 ( 11.618 -0.277 0.000) 11.622 3.073 ( -10.866 0.119 0.000) 10.867 3.360 ( 5.057 0.510 0.000) 5.083 3.410 ( -1.250 -0.538 0.000) 1.361 4.024 ( -0.663 -0.882 0.000) 1.104 4.098 ( -0.761 0.081 0.000) 0.766 4.578 ( -0.558 0.734 0.000) 0.922 4.746 ( 0.269 -0.031 0.000) 0.271 ======================= Grid point 16 (11/180) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -7.802 -3.890 0.000) 8.718 0.983 ( -3.070 0.163 0.000) 3.075 1.004 ( 2.107 1.807 0.000) 2.776 1.028 ( 1.635 -0.373 0.000) 1.677 1.165 ( -2.297 0.107 0.000) 2.300 1.315 ( 1.132 3.955 0.000) 4.114 1.344 ( -1.323 0.039 0.000) 1.324 1.458 ( 0.619 -1.870 0.000) 1.970 1.537 ( -1.557 -1.557 0.000) 2.202 1.712 ( 0.671 1.302 0.000) 1.464 1.750 ( 1.705 0.462 0.000) 1.766 1.841 ( -4.421 -3.842 0.000) 5.857 1.990 ( 1.951 4.932 0.000) 5.304 2.069 ( -8.375 1.575 0.000) 8.522 2.093 ( -0.069 -0.599 0.000) 0.603 2.167 ( 4.851 -3.657 0.000) 6.075 2.849 ( -11.347 0.336 0.000) 11.352 3.070 ( 10.980 -0.150 0.000) 10.981 3.348 ( -5.092 -0.613 0.000) 5.129 3.422 ( 1.297 0.605 0.000) 1.431 4.041 ( 2.304 0.630 0.000) 2.389 4.100 ( 0.963 0.421 0.000) 1.051 4.561 ( -1.080 -0.953 0.000) 1.440 4.747 ( -0.246 0.023 0.000) 0.247 ======================= Grid point 17 (12/180) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -7.765 -5.912 0.000) 9.760 0.907 ( -4.643 0.376 0.000) 4.658 0.964 ( -4.859 2.587 0.000) 5.505 1.027 ( -3.600 -1.388 0.000) 3.858 1.107 ( -1.312 0.825 0.000) 1.550 1.294 ( -3.465 0.088 0.000) 3.467 1.321 ( 3.164 4.637 0.000) 5.614 1.455 ( -4.112 -2.046 0.000) 4.593 1.531 ( -0.207 -1.312 0.000) 1.328 1.718 ( -8.199 1.626 0.000) 8.359 1.726 ( -0.087 -2.372 0.000) 2.374 1.793 ( 2.631 1.554 0.000) 3.056 1.898 ( -7.342 -0.431 0.000) 7.355 1.979 ( -0.728 3.938 0.000) 4.005 2.104 ( 0.342 -2.258 0.000) 2.284 2.249 ( 1.605 -3.707 0.000) 4.039 2.627 ( -10.355 0.857 0.000) 10.390 3.228 ( -6.795 -0.721 0.000) 6.834 3.277 ( 9.595 -0.070 0.000) 9.595 3.413 ( -1.529 0.777 0.000) 1.715 4.103 ( 4.138 2.461 0.000) 4.814 4.118 ( 0.794 0.220 0.000) 0.824 4.549 ( -0.796 -2.255 0.000) 2.391 4.738 ( -0.578 -0.129 0.000) 0.592 ======================= Grid point 18 (13/180) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -7.740 -4.136 0.000) 8.776 0.780 ( -8.106 1.405 0.000) 8.227 0.839 ( -4.925 3.429 0.000) 6.001 0.922 ( -6.112 -2.115 0.000) 6.468 1.106 ( 0.506 0.813 0.000) 0.958 1.215 ( -4.089 -0.010 0.000) 4.089 1.316 ( -8.762 -1.121 0.000) 8.834 1.392 ( 2.002 2.472 0.000) 3.181 1.458 ( -9.512 3.549 0.000) 10.153 1.511 ( -5.801 0.892 0.000) 5.869 1.752 ( -1.636 -3.959 0.000) 4.284 1.792 ( -2.754 0.375 0.000) 2.779 1.824 ( 1.008 2.518 0.000) 2.712 1.937 ( -2.031 0.779 0.000) 2.176 2.122 ( -0.186 -4.560 0.000) 4.564 2.268 ( -1.292 -4.139 0.000) 4.336 2.444 ( -6.936 2.095 0.000) 7.245 3.102 ( -5.865 -0.786 0.000) 5.918 3.374 ( -1.526 1.120 0.000) 1.893 3.449 ( 7.690 -0.030 0.000) 7.690 4.108 ( -1.471 -0.059 0.000) 1.472 4.180 ( 3.856 1.590 0.000) 4.171 4.547 ( -0.181 -0.616 0.000) 0.642 4.733 ( 0.159 -0.629 0.000) 0.649 ======================= Grid point 19 (14/180) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -8.338 1.864 0.000) 8.544 0.574 ( -11.297 2.580 0.000) 11.588 0.755 ( -3.344 3.388 0.000) 4.760 0.824 ( -4.891 -2.777 0.000) 5.625 1.063 ( -13.315 2.820 0.000) 13.611 1.092 ( -2.048 1.209 0.000) 2.378 1.155 ( -1.321 -0.338 0.000) 1.364 1.226 ( -9.510 1.098 0.000) 9.573 1.404 ( -5.444 1.054 0.000) 5.545 1.445 ( 1.180 1.348 0.000) 1.792 1.686 ( -2.952 2.026 0.000) 3.580 1.764 ( -2.330 -0.277 0.000) 2.347 1.803 ( -1.787 2.402 0.000) 2.994 1.910 ( -1.239 -4.430 0.000) 4.600 2.138 ( -0.589 -6.113 0.000) 6.142 2.245 ( -3.230 -6.200 0.000) 6.991 2.341 ( -2.270 3.669 0.000) 4.314 3.011 ( -3.574 -0.565 0.000) 3.618 3.352 ( 0.187 2.081 0.000) 2.089 3.580 ( 5.384 -0.015 0.000) 5.384 4.059 ( -4.898 -5.719 0.000) 7.530 4.232 ( 1.829 1.388 0.000) 2.296 4.551 ( 1.881 4.511 0.000) 4.888 4.752 ( 1.325 -0.640 0.000) 1.471 ======================= Grid point 20 (15/180) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( -7.143 6.826 0.000) 9.880 0.319 ( -12.350 4.389 0.000) 13.107 0.533 ( -14.777 12.558 0.000) 19.392 0.757 ( -3.004 -2.939 0.000) 4.203 0.938 ( 0.238 -2.564 0.000) 2.575 1.037 ( -2.123 1.024 0.000) 2.357 1.070 ( -4.493 1.491 0.000) 4.734 1.149 ( 0.036 -0.077 0.000) 0.085 1.271 ( -6.894 2.690 0.000) 7.400 1.431 ( -1.643 0.872 0.000) 1.861 1.646 ( -0.140 2.254 0.000) 2.258 1.716 ( -0.380 3.447 0.000) 3.468 1.749 ( -2.094 1.550 0.000) 2.605 1.921 ( -0.347 -6.018 0.000) 6.028 2.157 ( -0.313 -5.682 0.000) 5.691 2.199 ( -5.717 -10.558 0.000) 12.006 2.304 ( -0.106 4.046 0.000) 4.047 2.965 ( -1.205 0.043 0.000) 1.206 3.359 ( 1.849 3.884 0.000) 4.302 3.662 ( 2.777 -0.012 0.000) 2.777 3.948 ( -12.744 -15.773 0.000) 20.278 4.238 ( -0.566 0.229 0.000) 0.610 4.611 ( 9.291 12.316 0.000) 15.427 4.781 ( 1.137 0.009 0.000) 1.137 ======================= Grid point 21 (16/180) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.093 ( -0.000 9.912 0.000) 9.912 0.097 ( -0.000 10.424 0.000) 10.424 0.233 ( -0.000 24.964 0.000) 24.964 0.738 ( 0.000 -2.287 0.000) 2.287 0.954 ( 0.000 -5.153 0.000) 5.153 1.011 ( -0.000 0.791 0.000) 0.791 1.077 ( -0.000 3.681 0.000) 3.681 1.134 ( -0.000 3.747 0.000) 3.747 1.150 ( 0.000 -0.006 0.000) 0.006 1.406 ( -0.000 0.469 0.000) 0.469 1.634 ( -0.000 0.351 0.000) 0.351 1.721 ( -0.000 0.952 0.000) 0.952 1.858 ( 0.000 -0.370 0.000) 0.370 1.941 ( 0.000 -4.935 0.000) 4.935 1.995 ( 0.000 -2.957 0.000) 2.957 2.178 ( 0.000 -4.845 0.000) 4.845 2.286 ( -0.000 3.819 0.000) 3.819 2.957 ( -0.000 0.864 0.000) 0.864 3.452 ( -0.000 0.783 0.000) 0.783 3.586 ( 0.000 -0.007 0.000) 0.007 3.690 ( 0.000 -0.009 0.000) 0.009 4.228 ( 0.000 -0.011 0.000) 0.011 4.792 ( -0.000 0.221 0.000) 0.221 4.830 ( 0.000 -0.116 0.000) 0.116 ======================= Grid point 24 (17/180) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 4.549 -0.000 0.000) 4.549 0.878 ( 9.923 -0.000 0.000) 9.923 0.901 ( 5.117 -0.000 0.000) 5.117 1.070 ( 5.943 -0.000 0.000) 5.943 1.074 ( -1.440 0.000 0.000) 1.440 1.229 ( -5.140 0.000 0.000) 5.140 1.292 ( 3.466 -0.000 0.000) 3.466 1.494 ( 3.032 -0.000 0.000) 3.032 1.550 ( 2.828 -0.000 0.000) 2.828 1.687 ( 11.746 -0.000 0.000) 11.746 1.767 ( -1.766 0.000 0.000) 1.766 1.820 ( -3.577 0.000 0.000) 3.577 1.862 ( 0.468 -0.000 0.000) 0.468 1.907 ( 6.406 -0.000 0.000) 6.406 2.144 ( -2.094 0.000 0.000) 2.094 2.313 ( -2.195 0.000 0.000) 2.195 2.610 ( 11.161 -0.000 0.000) 11.161 3.242 ( 6.681 -0.000 0.000) 6.681 3.278 ( -9.539 0.000 0.000) 9.539 3.398 ( 1.686 -0.000 0.000) 1.686 4.043 ( -2.289 0.000 0.000) 2.289 4.130 ( -2.028 0.000 0.000) 2.028 4.587 ( 0.709 -0.000 0.000) 0.709 4.740 ( 0.212 -0.000 0.000) 0.212 ======================= Grid point 25 (18/180) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 2.084 1.738 0.000) 2.714 0.958 ( -1.655 -0.715 0.000) 1.803 0.979 ( 3.011 -0.044 0.000) 3.011 1.037 ( -2.204 0.114 0.000) 2.207 1.162 ( 2.708 -0.038 0.000) 2.708 1.215 ( 5.313 -1.459 0.000) 5.509 1.343 ( 1.411 -0.011 0.000) 1.411 1.525 ( -0.407 1.666 0.000) 1.715 1.548 ( -2.747 -0.758 0.000) 2.850 1.722 ( -0.710 0.968 0.000) 1.200 1.739 ( -0.621 -0.135 0.000) 0.635 1.853 ( -1.859 -1.997 0.000) 2.729 1.943 ( 9.339 1.340 0.000) 9.435 2.017 ( 4.485 -1.128 0.000) 4.624 2.107 ( -1.413 0.178 0.000) 1.424 2.233 ( -5.730 0.681 0.000) 5.770 2.841 ( 11.701 -0.103 0.000) 11.702 3.074 ( -10.836 0.044 0.000) 10.837 3.363 ( 5.042 0.191 0.000) 5.046 3.407 ( -1.243 -0.206 0.000) 1.260 4.018 ( -0.096 -0.348 0.000) 0.361 4.098 ( -0.825 0.055 0.000) 0.827 4.583 ( -0.996 0.269 0.000) 1.032 4.746 ( 0.284 -0.013 0.000) 0.284 ======================= Grid point 26 (19/180) ======================= q-point: (-0.64 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -8.722 -2.241 0.000) 9.005 0.984 ( -3.090 0.103 0.000) 3.092 1.017 ( 1.744 1.057 0.000) 2.039 1.025 ( 1.478 -0.225 0.000) 1.495 1.166 ( -2.187 0.061 0.000) 2.188 1.344 ( -1.297 0.024 0.000) 1.297 1.346 ( 4.909 2.490 0.000) 5.505 1.446 ( -2.509 -0.768 0.000) 2.624 1.523 ( -1.949 -1.440 0.000) 2.423 1.728 ( 0.819 1.937 0.000) 2.103 1.754 ( 2.076 0.280 0.000) 2.095 1.807 ( -3.799 -3.273 0.000) 5.014 2.034 ( 1.678 4.337 0.000) 4.651 2.081 ( -8.689 0.850 0.000) 8.731 2.089 ( -0.558 -0.362 0.000) 0.665 2.132 ( 4.800 -3.724 0.000) 6.075 2.852 ( -11.248 0.201 0.000) 11.250 3.069 ( 11.030 -0.091 0.000) 11.030 3.344 ( -5.093 -0.366 0.000) 5.106 3.427 ( 1.320 0.351 0.000) 1.366 4.045 ( 2.601 0.227 0.000) 2.611 4.104 ( 1.447 0.422 0.000) 1.508 4.553 ( -1.792 -0.587 0.000) 1.886 4.747 ( -0.249 0.011 0.000) 0.249 ======================= Grid point 27 (20/180) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -7.791 -4.260 0.000) 8.880 0.910 ( -4.370 0.325 0.000) 4.382 0.984 ( -4.315 1.762 0.000) 4.661 1.016 ( -3.944 -0.967 0.000) 4.061 1.113 ( -1.215 0.498 0.000) 1.313 1.295 ( -3.464 0.068 0.000) 3.464 1.361 ( 1.823 3.885 0.000) 4.291 1.438 ( -4.221 -1.569 0.000) 4.503 1.517 ( 1.612 -1.666 0.000) 2.318 1.708 ( -3.526 -1.293 0.000) 3.755 1.734 ( -3.981 1.378 0.000) 4.213 1.807 ( 3.194 1.335 0.000) 3.461 1.895 ( -8.118 -0.255 0.000) 8.122 2.010 ( -2.044 2.774 0.000) 3.446 2.084 ( -0.556 -1.847 0.000) 1.929 2.216 ( 1.781 -3.182 0.000) 3.646 2.634 ( -10.055 0.630 0.000) 10.075 3.222 ( -6.819 -0.527 0.000) 6.839 3.276 ( 9.621 -0.054 0.000) 9.621 3.419 ( -1.456 0.585 0.000) 1.569 4.106 ( 2.680 -0.456 0.000) 2.719 4.138 ( 2.538 2.662 0.000) 3.678 4.529 ( -0.919 -1.919 0.000) 2.128 4.737 ( -0.722 -0.108 0.000) 0.730 ======================= Grid point 28 (21/180) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -5.677 -3.354 0.000) 6.594 0.794 ( -7.301 1.710 0.000) 7.499 0.869 ( -5.102 2.801 0.000) 5.820 0.901 ( -6.743 -2.278 0.000) 7.118 1.113 ( 0.614 0.659 0.000) 0.900 1.215 ( -4.215 -0.008 0.000) 4.215 1.306 ( -8.641 -1.036 0.000) 8.703 1.409 ( 2.738 1.209 0.000) 2.993 1.496 ( -7.214 4.159 0.000) 8.327 1.523 ( -7.986 1.953 0.000) 8.221 1.713 ( -0.638 -4.397 0.000) 4.443 1.798 ( -2.631 0.776 0.000) 2.743 1.850 ( 1.629 3.048 0.000) 3.456 1.939 ( -4.271 -0.387 0.000) 4.288 2.079 ( -1.439 -4.639 0.000) 4.857 2.232 ( -1.636 -3.438 0.000) 3.807 2.462 ( -6.354 1.641 0.000) 6.562 3.095 ( -5.820 -0.643 0.000) 5.855 3.384 ( -1.256 1.013 0.000) 1.614 3.449 ( 7.700 -0.027 0.000) 7.700 4.105 ( -2.858 -0.624 0.000) 2.926 4.197 ( 3.649 1.934 0.000) 4.130 4.541 ( 1.502 -0.606 0.000) 1.619 4.727 ( -0.092 -0.583 0.000) 0.590 ======================= Grid point 29 (22/180) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -5.228 2.281 0.000) 5.704 0.602 ( -10.353 3.493 0.000) 10.927 0.785 ( -2.227 2.771 0.000) 3.555 0.794 ( -5.433 -3.621 0.000) 6.529 1.095 ( -11.450 3.801 0.000) 12.064 1.104 ( -1.988 1.368 0.000) 2.413 1.151 ( -1.296 -0.526 0.000) 1.399 1.242 ( -11.004 2.454 0.000) 11.274 1.417 ( -3.994 1.521 0.000) 4.274 1.458 ( 0.400 1.376 0.000) 1.433 1.698 ( -1.814 0.250 0.000) 1.831 1.763 ( -1.176 0.162 0.000) 1.187 1.830 ( -1.903 3.486 0.000) 3.971 1.862 ( -3.978 -5.589 0.000) 6.860 2.081 ( -0.720 -6.291 0.000) 6.332 2.187 ( -4.844 -5.876 0.000) 7.615 2.371 ( -2.064 2.760 0.000) 3.446 3.006 ( -3.289 -0.369 0.000) 3.310 3.372 ( 0.903 2.127 0.000) 2.310 3.580 ( 5.387 -0.017 0.000) 5.387 4.011 ( -7.591 -4.420 0.000) 8.784 4.241 ( 1.130 0.661 0.000) 1.309 4.590 ( 4.370 3.927 0.000) 5.875 4.746 ( 1.497 -0.835 0.000) 1.714 ======================= Grid point 30 (23/180) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -5.838 6.914 0.000) 9.049 0.368 ( -10.396 6.036 0.000) 12.021 0.662 ( -8.071 14.108 0.000) 16.253 0.722 ( -3.377 -4.367 0.000) 5.520 0.918 ( -3.559 -1.208 0.000) 3.758 1.048 ( -2.127 1.208 0.000) 2.446 1.088 ( -2.225 2.474 0.000) 3.327 1.148 ( 0.121 -0.118 0.000) 0.169 1.303 ( -5.532 4.204 0.000) 6.948 1.441 ( -1.738 1.042 0.000) 2.026 1.661 ( -1.366 1.140 0.000) 1.779 1.747 ( 1.574 2.594 0.000) 3.034 1.768 ( -2.289 2.406 0.000) 3.321 1.850 ( -1.186 -9.196 0.000) 9.272 2.100 ( -7.868 -10.244 0.000) 12.917 2.104 ( 0.009 -5.734 0.000) 5.734 2.337 ( -0.253 3.215 0.000) 3.225 2.968 ( -0.513 0.622 0.000) 0.806 3.395 ( 2.704 3.798 0.000) 4.662 3.662 ( 2.777 -0.015 0.000) 2.777 3.835 ( -13.805 -8.979 0.000) 16.468 4.239 ( -0.809 0.020 0.000) 0.810 4.694 ( 8.795 6.253 0.000) 10.792 4.781 ( 1.465 -0.021 0.000) 1.465 ======================= Grid point 31 (24/180) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( -0.000 9.361 0.000) 9.361 0.192 ( -0.000 10.142 0.000) 10.142 0.460 ( -0.000 24.102 0.000) 24.102 0.708 ( 0.000 -4.157 0.000) 4.157 0.901 ( 0.000 -6.113 0.000) 6.113 1.020 ( -0.000 1.181 0.000) 1.181 1.110 ( -0.000 3.368 0.000) 3.368 1.150 ( 0.000 -0.014 0.000) 0.014 1.184 ( -0.000 6.697 0.000) 6.697 1.411 ( -0.000 0.771 0.000) 0.771 1.639 ( -0.000 0.650 0.000) 0.650 1.734 ( -0.000 1.787 0.000) 1.787 1.853 ( 0.000 -0.664 0.000) 0.664 1.877 ( 0.000 -8.793 0.000) 8.793 1.954 ( 0.000 -5.793 0.000) 5.793 2.130 ( 0.000 -5.392 0.000) 5.392 2.321 ( -0.000 3.480 0.000) 3.480 2.968 ( -0.000 1.384 0.000) 1.384 3.462 ( -0.000 1.276 0.000) 1.276 3.586 ( 0.000 -0.012 0.000) 0.012 3.690 ( 0.000 -0.015 0.000) 0.015 4.228 ( 0.000 -0.018 0.000) 0.018 4.795 ( -0.000 0.410 0.000) 0.410 4.829 ( 0.000 -0.232 0.000) 0.232 ======================= Grid point 36 (25/180) ======================= q-point: (-0.73 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -9.047 0.000 0.000) 9.047 0.985 ( -3.099 0.000 0.000) 3.099 1.023 ( 1.601 -0.000 0.000) 1.601 1.024 ( 1.422 -0.000 0.000) 1.422 1.166 ( -2.148 0.000 0.000) 2.148 1.344 ( -1.287 0.000 0.000) 1.287 1.358 ( 7.326 -0.000 0.000) 7.326 1.443 ( -4.895 0.000 0.000) 4.895 1.515 ( -1.912 0.000 0.000) 1.912 1.740 ( 1.295 -0.000 0.000) 1.295 1.755 ( 2.219 -0.000 0.000) 2.219 1.788 ( -3.971 0.000 0.000) 3.971 2.060 ( 0.456 -0.000 0.000) 0.456 2.084 ( -8.234 0.000 0.000) 8.234 2.087 ( -0.745 0.000 0.000) 0.745 2.108 ( 5.322 -0.000 0.000) 5.322 2.853 ( -11.212 0.000 0.000) 11.212 3.069 ( 11.049 -0.000 0.000) 11.049 3.342 ( -5.091 0.000 0.000) 5.091 3.429 ( 1.329 -0.000 0.000) 1.329 4.046 ( 2.647 -0.000 0.000) 2.647 4.106 ( 1.703 -0.000 0.000) 1.703 4.550 ( -2.069 0.000 0.000) 2.069 4.747 ( -0.251 0.000 0.000) 0.251 ======================= Grid point 38 (26/180) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -7.803 -1.565 0.000) 7.959 0.913 ( -4.179 0.132 0.000) 4.181 0.995 ( -4.045 0.626 0.000) 4.093 1.010 ( -4.171 -0.352 0.000) 4.186 1.116 ( -1.163 0.166 0.000) 1.175 1.295 ( -3.462 0.026 0.000) 3.462 1.389 ( 0.327 1.870 0.000) 1.898 1.427 ( -4.055 -0.750 0.000) 4.124 1.503 ( 3.188 -0.954 0.000) 3.328 1.701 ( -4.268 -0.360 0.000) 4.283 1.743 ( -2.574 0.517 0.000) 2.626 1.816 ( 3.619 0.541 0.000) 3.660 1.894 ( -8.738 -0.065 0.000) 8.739 2.028 ( -3.223 1.066 0.000) 3.395 2.072 ( -1.167 -0.727 0.000) 1.375 2.194 ( 2.252 -1.327 0.000) 2.614 2.638 ( -9.891 0.230 0.000) 9.894 3.219 ( -6.827 -0.191 0.000) 6.829 3.276 ( 9.636 -0.020 0.000) 9.636 3.423 ( -1.411 0.217 0.000) 1.428 4.103 ( 2.276 -0.210 0.000) 2.286 4.156 ( 3.136 1.084 0.000) 3.318 4.516 ( -1.034 -0.775 0.000) 1.292 4.736 ( -0.804 -0.042 0.000) 0.805 ======================= Grid point 39 (27/180) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( -4.105 -1.856 0.000) 4.505 0.810 ( -6.214 1.530 0.000) 6.399 0.882 ( -7.710 -1.839 0.000) 7.926 0.889 ( -5.179 1.534 0.000) 5.401 1.118 ( 0.713 0.360 0.000) 0.799 1.215 ( -4.317 -0.004 0.000) 4.317 1.298 ( -8.107 -0.529 0.000) 8.125 1.416 ( 1.982 0.411 0.000) 2.025 1.522 ( -2.148 1.478 0.000) 2.607 1.552 ( -12.032 3.791 0.000) 12.615 1.674 ( -0.516 -3.798 0.000) 3.833 1.804 ( -2.020 0.564 0.000) 2.097 1.877 ( 2.682 2.602 0.000) 3.737 1.932 ( -6.015 -0.796 0.000) 6.067 2.040 ( -2.850 -3.456 0.000) 4.480 2.207 ( -1.717 -1.820 0.000) 2.502 2.474 ( -6.032 0.884 0.000) 6.097 3.091 ( -5.767 -0.353 0.000) 5.778 3.391 ( -1.054 0.598 0.000) 1.212 3.449 ( 7.709 -0.016 0.000) 7.709 4.099 ( -3.417 -0.495 0.000) 3.452 4.213 ( 2.848 1.240 0.000) 3.106 4.536 ( 2.930 -0.382 0.000) 2.955 4.723 ( -0.309 -0.349 0.000) 0.466 ======================= Grid point 40 (28/180) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -2.494 2.015 0.000) 3.207 0.638 ( -9.299 4.079 0.000) 10.154 0.758 ( -6.129 -4.133 0.000) 7.393 0.803 ( -2.411 1.316 0.000) 2.747 1.116 ( -1.994 1.313 0.000) 2.387 1.127 ( -8.185 2.823 0.000) 8.658 1.146 ( -1.221 -0.728 0.000) 1.421 1.273 ( -12.386 4.137 0.000) 13.059 1.431 ( -1.937 1.528 0.000) 2.467 1.468 ( -0.933 0.733 0.000) 1.186 1.689 ( -0.267 -2.102 0.000) 2.119 1.767 ( -1.232 0.502 0.000) 1.330 1.813 ( -6.608 -4.562 0.000) 8.030 1.867 ( -2.176 4.398 0.000) 4.907 2.023 ( -0.570 -6.136 0.000) 6.162 2.141 ( -6.105 -3.861 0.000) 7.224 2.391 ( -1.978 1.703 0.000) 2.610 3.004 ( -2.965 -0.166 0.000) 2.970 3.390 ( 1.478 1.571 0.000) 2.157 3.580 ( 5.389 -0.013 0.000) 5.389 3.978 ( -9.149 -2.769 0.000) 9.559 4.245 ( 0.633 0.300 0.000) 0.701 4.621 ( 5.732 2.670 0.000) 6.323 4.738 ( 1.590 -0.815 0.000) 1.786 ======================= Grid point 41 (29/180) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -4.940 5.994 0.000) 7.768 0.428 ( -8.584 6.719 0.000) 10.901 0.677 ( -3.900 -5.353 0.000) 6.623 0.762 ( -1.144 5.730 0.000) 5.843 0.937 ( -8.230 6.715 0.000) 10.622 1.059 ( -2.164 1.021 0.000) 2.393 1.112 ( -0.721 2.347 0.000) 2.455 1.147 ( 0.232 -0.130 0.000) 0.266 1.346 ( -3.976 4.999 0.000) 6.388 1.449 ( -1.674 0.731 0.000) 1.827 1.670 ( -1.675 0.919 0.000) 1.911 1.748 ( -1.426 -7.039 0.000) 7.182 1.768 ( 0.551 -3.369 0.000) 3.413 1.793 ( -2.641 2.866 0.000) 3.898 2.016 ( -8.670 -7.667 0.000) 11.574 2.053 ( 0.414 -5.185 0.000) 5.202 2.363 ( -0.326 2.215 0.000) 2.239 2.975 ( 0.107 0.747 0.000) 0.755 3.427 ( 2.969 2.975 0.000) 4.203 3.662 ( 2.776 -0.014 0.000) 2.776 3.773 ( -12.854 -4.928 0.000) 13.767 4.239 ( -0.872 -0.017 0.000) 0.872 4.736 ( 7.014 3.085 0.000) 7.662 4.780 ( 1.919 -0.099 0.000) 1.922 ======================= Grid point 42 (30/180) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( -0.000 8.257 0.000) 8.257 0.284 ( -0.000 9.662 0.000) 9.662 0.663 ( 0.000 -5.544 0.000) 5.544 0.676 ( -0.000 22.318 0.000) 22.318 0.844 ( 0.000 -6.028 0.000) 6.028 1.031 ( -0.000 1.133 0.000) 1.133 1.138 ( -0.000 2.493 0.000) 2.493 1.150 ( 0.000 -0.022 0.000) 0.022 1.254 ( -0.000 8.040 0.000) 8.040 1.419 ( -0.000 0.809 0.000) 0.809 1.646 ( -0.000 0.805 0.000) 0.805 1.753 ( -0.000 2.327 0.000) 2.327 1.784 ( 0.000 -10.985 0.000) 10.985 1.847 ( 0.000 -0.794 0.000) 0.794 1.890 ( 0.000 -7.800 0.000) 7.800 2.080 ( 0.000 -5.099 0.000) 5.099 2.349 ( -0.000 2.637 0.000) 2.637 2.982 ( -0.000 1.420 0.000) 1.420 3.474 ( -0.000 1.335 0.000) 1.335 3.586 ( 0.000 -0.014 0.000) 0.014 3.690 ( 0.000 -0.016 0.000) 0.016 4.227 ( 0.000 -0.020 0.000) 0.020 4.799 ( -0.000 0.537 0.000) 0.537 4.826 ( 0.000 -0.344 0.000) 0.344 ======================= Grid point 49 (31/180) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -3.502 0.000 0.000) 3.502 0.818 ( -5.365 0.000 0.000) 5.365 0.872 ( -8.516 0.000 0.000) 8.516 0.896 ( -5.211 0.000 0.000) 5.211 1.120 ( 0.753 -0.000 0.000) 0.753 1.215 ( -4.356 0.000 0.000) 4.356 1.296 ( -7.880 0.000 0.000) 7.880 1.418 ( 1.676 -0.000 0.000) 1.676 1.528 ( -1.927 0.000 0.000) 1.927 1.574 ( -12.570 0.000 0.000) 12.570 1.652 ( 0.201 -0.000 0.000) 0.201 1.807 ( -1.749 0.000 0.000) 1.749 1.891 ( 3.536 -0.000 0.000) 3.536 1.928 ( -6.700 0.000 0.000) 6.700 2.022 ( -3.820 0.000 0.000) 3.820 2.199 ( -1.713 0.000 0.000) 1.713 2.478 ( -5.931 0.000 0.000) 5.931 3.089 ( -5.744 0.000 0.000) 5.744 3.394 ( -0.979 0.000 0.000) 0.979 3.449 ( 7.712 -0.000 0.000) 7.712 4.096 ( -3.574 0.000 0.000) 3.574 4.219 ( 2.461 -0.000 0.000) 2.461 4.535 ( 3.501 -0.000 0.000) 3.501 4.721 ( -0.396 0.000 0.000) 0.396 ======================= Grid point 51 (32/180) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -0.884 0.819 0.000) 1.205 0.677 ( -8.376 4.293 0.000) 9.412 0.718 ( -6.845 -4.306 0.000) 8.087 0.810 ( -3.021 0.304 0.000) 3.036 1.128 ( -2.414 1.094 0.000) 2.650 1.138 ( -0.763 -0.886 0.000) 1.169 1.145 ( -6.133 0.957 0.000) 6.208 1.307 ( -12.701 2.430 0.000) 12.931 1.443 ( 0.187 0.788 0.000) 0.810 1.471 ( -2.437 0.037 0.000) 2.437 1.667 ( -0.072 -1.719 0.000) 1.720 1.771 ( -1.795 0.231 0.000) 1.810 1.784 ( -7.376 -1.584 0.000) 7.544 1.910 ( -3.364 4.592 0.000) 5.692 1.969 ( 0.564 -5.180 0.000) 5.210 2.117 ( -6.783 -1.300 0.000) 6.906 2.402 ( -1.945 0.575 0.000) 2.028 3.003 ( -2.759 -0.043 0.000) 2.760 3.400 ( 1.801 0.579 0.000) 1.892 3.580 ( 5.390 -0.005 0.000) 5.390 3.960 ( -9.847 -0.946 0.000) 9.892 4.247 ( 0.391 0.087 0.000) 0.401 4.639 ( 6.374 0.985 0.000) 6.449 4.732 ( 1.555 -0.377 0.000) 1.600 ======================= Grid point 52 (33/180) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -4.272 3.728 0.000) 5.670 0.490 ( -7.161 6.495 0.000) 9.668 0.625 ( -4.535 -5.742 0.000) 7.317 0.776 ( -0.668 -0.798 0.000) 1.041 1.028 ( -6.590 10.615 0.000) 12.494 1.066 ( -2.219 0.581 0.000) 2.294 1.125 ( -0.547 0.148 0.000) 0.566 1.146 ( 0.336 -0.090 0.000) 0.348 1.391 ( -2.886 4.446 0.000) 5.301 1.451 ( -1.361 -0.530 0.000) 1.461 1.661 ( -1.920 -7.212 0.000) 7.464 1.681 ( -2.805 0.316 0.000) 2.823 1.754 ( 0.269 -1.775 0.000) 1.795 1.818 ( -3.190 2.339 0.000) 3.955 1.962 ( -8.966 -3.870 0.000) 9.766 2.011 ( 0.984 -3.528 0.000) 3.663 2.378 ( -0.363 1.128 0.000) 1.185 2.981 ( 0.492 0.475 0.000) 0.684 3.449 ( 3.029 1.676 0.000) 3.462 3.662 ( 2.776 -0.008 0.000) 2.776 3.740 ( -12.029 -2.284 0.000) 12.243 4.239 ( -0.889 -0.015 0.000) 0.890 4.756 ( 5.640 1.409 0.000) 5.813 4.779 ( 2.420 -0.186 0.000) 2.427 ======================= Grid point 53 (34/180) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( -0.000 6.166 0.000) 6.166 0.371 ( -0.000 8.885 0.000) 8.885 0.607 ( 0.000 -6.463 0.000) 6.463 0.793 ( 0.000 -4.853 0.000) 4.853 0.868 ( -0.000 18.493 0.000) 18.493 1.040 ( -0.000 0.788 0.000) 0.788 1.150 ( 0.000 -0.022 0.000) 0.022 1.156 ( -0.000 1.510 0.000) 1.510 1.323 ( -0.000 6.289 0.000) 6.289 1.426 ( -0.000 0.594 0.000) 0.594 1.653 ( -0.000 0.698 0.000) 0.698 1.684 ( 0.000 -9.694 0.000) 9.694 1.775 ( -0.000 2.230 0.000) 2.230 1.814 ( 0.000 -8.149 0.000) 8.149 1.840 ( 0.000 -0.670 0.000) 0.670 2.038 ( 0.000 -3.965 0.000) 3.965 2.369 ( -0.000 1.632 0.000) 1.632 2.993 ( -0.000 1.031 0.000) 1.031 3.485 ( -0.000 0.984 0.000) 0.984 3.586 ( 0.000 -0.010 0.000) 0.010 3.689 ( 0.000 -0.012 0.000) 0.012 4.227 ( 0.000 -0.015 0.000) 0.015 4.805 ( -0.000 0.576 0.000) 0.576 4.822 ( 0.000 -0.428 0.000) 0.428 ======================= Grid point 62 (35/180) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -3.994 0.000 0.000) 3.994 0.533 ( -6.522 0.000 0.000) 6.522 0.585 ( -4.913 0.000 0.000) 4.913 0.770 ( -1.283 0.000 0.000) 1.283 1.069 ( -2.246 0.000 0.000) 2.246 1.099 ( -7.892 0.000 0.000) 7.892 1.110 ( 2.335 -0.000 0.000) 2.335 1.146 ( 0.380 -0.000 0.000) 0.380 1.419 ( -3.261 0.000 0.000) 3.261 1.442 ( -0.758 0.000 0.000) 0.758 1.623 ( -2.398 0.000 0.000) 2.398 1.687 ( -2.124 0.000 0.000) 2.124 1.742 ( -0.759 0.000 0.000) 0.759 1.830 ( -3.581 0.000 0.000) 3.581 1.945 ( -8.933 0.000 0.000) 8.933 1.993 ( 1.381 -0.000 0.000) 1.381 2.383 ( -0.375 0.000 0.000) 0.375 2.983 ( 0.621 -0.000 0.000) 0.621 3.457 ( 3.042 -0.000 0.000) 3.042 3.662 ( 2.776 -0.000 0.000) 2.776 3.729 ( -11.742 0.000 0.000) 11.742 4.239 ( -0.893 0.000 0.000) 0.893 4.763 ( 5.084 -0.000 0.000) 5.084 4.778 ( 2.694 -0.000 0.000) 2.694 ======================= Grid point 64 (36/180) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -0.000 2.427 0.000) 2.427 0.445 ( -0.000 6.417 0.000) 6.417 0.547 ( 0.000 -5.617 0.000) 5.617 0.759 ( 0.000 -1.993 0.000) 1.993 1.001 ( -0.000 8.665 0.000) 8.665 1.045 ( -0.000 0.280 0.000) 0.280 1.150 ( 0.000 -0.009 0.000) 0.009 1.165 ( -0.000 0.504 0.000) 0.504 1.357 ( -0.000 0.945 0.000) 0.945 1.429 ( -0.000 0.216 0.000) 0.216 1.623 ( 0.000 -2.854 0.000) 2.854 1.658 ( -0.000 0.282 0.000) 0.282 1.751 ( 0.000 -4.443 0.000) 4.443 1.791 ( -0.000 1.005 0.000) 1.005 1.835 ( 0.000 -0.267 0.000) 0.267 2.011 ( 0.000 -1.595 0.000) 1.595 2.379 ( -0.000 0.552 0.000) 0.552 3.000 ( -0.000 0.374 0.000) 0.374 3.491 ( -0.000 0.360 0.000) 0.360 3.585 ( 0.000 -0.004 0.000) 0.004 3.689 ( 0.000 -0.005 0.000) 0.005 4.227 ( 0.000 -0.006 0.000) 0.006 4.809 ( -0.000 0.391 0.000) 0.391 4.819 ( 0.000 -0.336 0.000) 0.336 ======================= Grid point 127 (37/180) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.187 ( 0.000 0.000 9.950) 9.950 0.267 ( 0.000 0.000 13.551) 13.551 0.479 ( 0.000 0.000 23.951) 23.951 0.804 ( 0.000 0.000 5.303) 5.303 1.021 ( 0.000 0.000 3.640) 3.640 1.081 ( 0.000 0.000 6.947) 6.947 1.083 ( 0.000 0.000 2.907) 2.907 1.117 ( 0.000 0.000 0.146) 0.146 1.228 ( 0.000 0.000 7.543) 7.543 1.392 ( 0.000 0.000 -1.151) 1.151 1.620 ( 0.000 0.000 -1.229) 1.229 1.651 ( 0.000 0.000 1.214) 1.214 1.845 ( 0.000 0.000 -1.551) 1.551 1.969 ( 0.000 0.000 0.331) 0.331 2.161 ( 0.000 0.000 -4.088) 4.088 2.248 ( 0.000 0.000 -1.401) 1.401 2.907 ( 0.000 0.000 -3.642) 3.642 3.119 ( 0.000 0.000 6.136) 6.136 3.269 ( 0.000 0.000 -5.791) 5.791 3.609 ( 0.000 0.000 2.384) 2.384 3.686 ( 0.000 0.000 -0.502) 0.502 4.211 ( 0.000 0.000 -1.686) 1.686 4.405 ( 0.000 0.000 1.072) 1.072 4.775 ( 0.000 0.000 -1.601) 1.601 ======================= Grid point 128 (38/180) ======================= q-point: ( 0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 4.955 -0.670 6.965) 8.574 0.281 ( 7.049 -6.481 6.028) 11.315 0.708 ( 14.731 -1.716 18.158) 23.445 0.832 ( 3.226 0.936 5.327) 6.298 0.976 ( -3.352 1.119 1.759) 3.947 1.052 ( 1.984 -0.738 3.047) 3.710 1.131 ( 5.023 -0.340 5.865) 7.730 1.221 ( -0.532 -0.040 6.695) 6.717 1.260 ( 7.491 -0.816 0.611) 7.560 1.418 ( 2.013 -0.215 -0.410) 2.065 1.629 ( 1.087 -0.118 1.086) 1.541 1.680 ( 2.769 0.248 -0.893) 2.920 1.840 ( -0.021 -0.492 2.669) 2.714 1.966 ( -0.069 1.716 0.149) 1.724 2.158 ( 0.431 3.085 -4.485) 5.461 2.245 ( -0.876 -2.645 -1.810) 3.323 2.465 ( -16.539 5.913 11.743) 21.128 3.031 ( 0.723 -0.008 6.088) 6.131 3.264 ( -0.947 -1.383 -6.505) 6.717 3.653 ( -3.157 -0.212 -0.909) 3.292 4.004 ( 13.563 7.540 -8.132) 17.520 4.207 ( -0.492 -1.884 -0.786) 2.100 4.449 ( 1.587 -6.795 -0.539) 6.999 4.765 ( -0.910 0.014 -1.543) 1.791 ======================= Grid point 129 (39/180) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 9.749 1.300 -0.194) 9.838 0.494 ( 10.119 -6.808 0.313) 12.200 0.881 ( 4.312 0.372 6.404) 7.729 0.892 ( 1.518 2.251 7.926) 8.377 1.072 ( 8.467 1.632 2.596) 9.005 1.125 ( 8.320 -3.589 5.204) 10.449 1.209 ( 0.412 -0.803 5.248) 5.325 1.264 ( 6.507 -0.316 3.198) 7.257 1.398 ( 5.970 -0.612 0.107) 6.003 1.444 ( 0.285 -0.057 1.585) 1.611 1.681 ( 4.116 -0.227 1.990) 4.578 1.745 ( 3.456 0.569 -2.013) 4.039 1.852 ( 0.220 -1.500 4.571) 4.816 1.948 ( -0.936 1.636 0.251) 1.902 2.151 ( 0.819 5.664 -4.579) 7.329 2.250 ( 0.295 -4.599 -3.913) 6.045 2.294 ( -1.868 3.790 -0.010) 4.225 3.070 ( 3.228 0.468 4.838) 5.835 3.248 ( -1.207 -0.675 -8.693) 8.802 3.571 ( -4.999 -0.606 -0.950) 5.125 4.118 ( 3.550 5.351 -0.084) 6.422 4.207 ( -1.131 -3.352 0.058) 3.539 4.509 ( 2.146 -2.582 -0.241) 3.366 4.744 ( -1.037 0.336 -1.357) 1.741 ======================= Grid point 130 (40/180) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 8.635 2.961 -1.861) 9.316 0.717 ( 9.223 -5.226 -0.560) 10.615 0.945 ( 5.306 2.476 4.236) 7.227 0.964 ( 4.007 0.585 6.635) 7.773 1.132 ( 0.759 -0.490 2.238) 2.413 1.215 ( 2.455 0.811 1.646) 3.065 1.324 ( 0.528 -0.688 -0.354) 0.936 1.412 ( 8.081 -2.233 3.582) 9.117 1.474 ( 4.306 -0.393 3.695) 5.688 1.513 ( 6.943 -0.548 1.312) 7.087 1.778 ( 4.833 1.256 1.212) 5.139 1.785 ( 0.791 2.613 -1.750) 3.243 1.852 ( -0.634 -2.386 3.689) 4.438 1.923 ( -1.152 -1.896 -0.164) 2.224 2.135 ( -0.003 4.233 -2.914) 5.139 2.271 ( 0.629 3.134 -3.071) 4.433 2.327 ( 5.365 -2.978 -8.481) 10.468 3.152 ( 5.131 0.664 3.677) 6.347 3.213 ( -3.011 -0.072 -12.665) 13.018 3.478 ( -4.028 -0.842 0.792) 4.191 4.141 ( 0.219 -0.125 3.043) 3.054 4.185 ( -2.048 -1.143 1.446) 2.755 4.555 ( 1.879 0.596 0.268) 1.989 4.728 ( -0.190 0.442 -1.036) 1.142 ======================= Grid point 131 (41/180) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 6.931 3.446 -1.688) 7.922 0.896 ( 6.180 -2.403 -1.078) 6.718 1.026 ( 2.669 1.498 7.091) 7.724 1.059 ( 6.046 1.868 1.297) 6.459 1.141 ( 0.745 -1.793 3.425) 3.937 1.249 ( -1.296 -0.595 -0.274) 1.453 1.313 ( 1.237 -2.313 0.672) 2.708 1.495 ( 2.083 2.615 1.394) 3.622 1.532 ( 1.035 0.829 -0.871) 1.586 1.690 ( 4.198 -2.255 -0.705) 4.818 1.759 ( -0.009 2.671 0.506) 2.719 1.814 ( 1.398 0.451 2.423) 2.834 1.914 ( 4.960 -1.177 1.178) 5.232 1.923 ( -0.243 -4.054 -1.080) 4.202 2.119 ( 0.073 1.998 -0.684) 2.114 2.256 ( -1.137 3.067 -2.379) 4.044 2.491 ( 9.587 -1.409 -11.839) 15.299 3.106 ( -7.671 0.055 -14.621) 16.512 3.261 ( 5.752 0.600 2.175) 6.179 3.435 ( -0.985 -0.745 1.091) 1.648 4.121 ( -2.693 -2.429 3.930) 5.348 4.156 ( -0.704 0.329 3.056) 3.153 4.576 ( 0.960 1.914 0.759) 2.271 4.732 ( 0.535 0.070 -0.703) 0.886 ======================= Grid point 132 (42/180) ======================= q-point: ( 0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 5.634 2.263 -1.594) 6.277 0.936 ( -2.476 -0.731 -1.743) 3.115 1.077 ( 3.286 1.012 6.101) 7.004 1.121 ( -0.167 0.864 4.572) 4.656 1.189 ( 1.837 -0.990 3.410) 3.998 1.230 ( 0.564 -2.585 -3.066) 4.050 1.368 ( 2.205 -1.207 1.452) 2.903 1.467 ( -2.511 2.811 -1.376) 4.013 1.543 ( 0.716 1.104 -0.645) 1.466 1.684 ( -1.540 -1.392 -2.436) 3.201 1.750 ( -0.492 0.350 1.007) 1.174 1.885 ( 3.904 3.888 0.368) 5.522 1.919 ( -1.776 -4.615 -1.713) 5.234 2.044 ( 5.701 -2.528 -0.513) 6.258 2.121 ( 0.832 0.978 1.443) 1.932 2.191 ( -3.907 2.419 -0.435) 4.616 2.704 ( 11.008 -0.565 -13.383) 17.338 2.922 ( -10.347 0.162 -14.104) 17.493 3.362 ( 4.282 0.515 0.666) 4.363 3.418 ( -1.621 -0.572 0.120) 1.723 4.083 ( -1.355 -0.654 4.252) 4.510 4.145 ( -0.401 -0.304 4.147) 4.177 4.581 ( 0.298 0.984 1.101) 1.506 4.741 ( 0.294 -0.046 -0.517) 0.596 ======================= Grid point 139 (43/180) ======================= q-point: ( 0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 10.680 -0.000 -4.127) 11.450 0.442 ( 10.485 -0.000 3.787) 11.148 0.882 ( 4.541 -0.000 7.542) 8.804 0.903 ( 1.225 -0.000 7.149) 7.253 1.091 ( 15.383 -0.000 6.123) 16.557 1.096 ( 2.381 -0.000 1.983) 3.098 1.205 ( 0.006 -0.000 4.844) 4.844 1.263 ( 6.017 -0.000 3.374) 6.898 1.395 ( 6.163 -0.000 -0.031) 6.163 1.444 ( 0.428 -0.000 1.861) 1.909 1.680 ( 4.233 -0.000 2.468) 4.900 1.748 ( 3.645 -0.000 -1.991) 4.154 1.844 ( 0.179 -0.000 4.730) 4.734 1.956 ( -1.496 0.000 -0.068) 1.498 2.197 ( 2.900 -0.000 -6.953) 7.534 2.209 ( -1.764 0.000 -1.802) 2.522 2.313 ( -2.538 0.000 -0.005) 2.538 3.073 ( 3.257 -0.000 4.823) 5.819 3.244 ( -0.947 0.000 -8.466) 8.519 3.568 ( -5.019 0.000 -1.142) 5.148 4.159 ( 2.770 -0.000 -2.493) 3.726 4.176 ( -1.672 0.000 1.968) 2.583 4.496 ( 3.456 -0.000 0.113) 3.458 4.745 ( -0.987 0.000 -1.360) 1.680 ======================= Grid point 140 (44/180) ======================= q-point: ( 0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 8.694 3.052 -3.684) 9.923 0.673 ( 10.506 -3.859 0.295) 11.196 0.962 ( 5.025 0.906 2.778) 5.813 0.968 ( 4.164 0.304 8.751) 9.696 1.129 ( 0.423 -0.173 2.586) 2.626 1.220 ( 2.198 0.284 1.687) 2.785 1.319 ( -1.209 -0.345 0.217) 1.276 1.395 ( 12.399 -1.053 2.920) 12.782 1.473 ( 3.223 0.027 4.589) 5.608 1.510 ( 6.299 -0.122 1.003) 6.380 1.784 ( 5.494 0.485 1.304) 5.667 1.809 ( 2.394 1.744 -1.659) 3.395 1.834 ( -1.160 -1.241 3.376) 3.779 1.908 ( -3.195 -1.167 -0.253) 3.411 2.167 ( -1.497 2.118 -1.932) 3.234 2.286 ( 2.504 -0.038 -5.397) 5.949 2.309 ( 4.430 -0.450 -7.522) 8.741 3.157 ( 5.117 0.267 3.674) 6.305 3.212 ( -2.907 -0.030 -12.501) 12.834 3.472 ( -3.991 -0.324 0.624) 4.052 4.138 ( -1.866 -0.267 3.420) 3.905 4.179 ( -0.510 -0.218 1.059) 1.196 4.559 ( 2.568 0.213 0.352) 2.601 4.731 ( -0.300 0.165 -1.058) 1.112 ======================= Grid point 141 (45/180) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 6.444 2.338 -3.023) 7.492 0.876 ( 7.609 -1.747 -0.795) 7.847 1.037 ( 3.007 0.964 6.455) 7.186 1.076 ( 6.118 1.624 2.757) 6.904 1.127 ( 0.069 -1.188 3.206) 3.419 1.241 ( -3.494 -1.037 1.101) 3.808 1.296 ( 2.499 -1.178 0.360) 2.786 1.516 ( 2.087 1.862 1.905) 3.384 1.537 ( 2.094 0.238 -0.795) 2.252 1.672 ( 4.498 -1.350 -1.043) 4.811 1.789 ( -0.914 3.656 -0.245) 3.777 1.817 ( 2.070 0.329 3.333) 3.937 1.877 ( -0.960 -4.839 -1.131) 5.062 1.911 ( 5.217 -0.336 0.643) 5.267 2.135 ( -0.709 1.278 -0.490) 1.541 2.278 ( -1.463 1.705 -2.470) 3.339 2.480 ( 10.134 -0.896 -12.435) 16.067 3.106 ( -7.678 0.035 -14.599) 16.495 3.266 ( 5.684 0.367 2.115) 6.075 3.429 ( -0.876 -0.455 1.105) 1.482 4.102 ( -2.063 -1.500 4.280) 4.983 4.159 ( -1.095 0.305 2.851) 3.070 4.590 ( 0.913 1.078 0.769) 1.608 4.732 ( 0.401 0.030 -0.732) 0.836 ======================= Grid point 142 (46/180) ======================= q-point: ( 0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 4.869 1.788 -2.428) 5.727 0.930 ( -2.757 -0.664 -1.234) 3.092 1.087 ( 2.804 1.128 5.652) 6.409 1.129 ( -1.745 0.785 5.883) 6.186 1.181 ( 3.381 -0.752 1.883) 3.942 1.206 ( 1.687 -2.478 -1.449) 3.330 1.359 ( 2.579 -0.748 1.107) 2.905 1.494 ( -3.032 3.082 -1.142) 4.471 1.548 ( -0.556 -0.064 -0.477) 0.735 1.673 ( -0.458 -0.950 -3.214) 3.383 1.758 ( -0.692 1.362 1.290) 1.999 1.876 ( -1.610 -4.444 -0.999) 4.831 1.921 ( 4.883 3.722 0.018) 6.140 2.019 ( 5.187 -2.898 -0.709) 5.984 2.129 ( 0.509 0.722 1.691) 1.908 2.210 ( -4.562 1.655 -0.869) 4.930 2.700 ( 11.275 -0.429 -13.624) 17.689 2.923 ( -10.255 0.117 -14.050) 17.395 3.366 ( 4.256 0.392 0.553) 4.310 3.413 ( -1.559 -0.451 0.220) 1.637 4.077 ( -0.714 -0.630 4.466) 4.566 4.144 ( -0.282 -0.069 4.022) 4.033 4.589 ( -0.461 0.728 1.089) 1.389 4.741 ( 0.322 -0.042 -0.528) 0.620 ======================= Grid point 143 (47/180) ======================= q-point: (-0.55 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -6.667 -2.071 -0.559) 7.004 0.943 ( 2.408 0.598 -2.230) 3.336 1.069 ( -3.504 -0.695 6.335) 7.273 1.113 ( -0.906 -0.670 3.439) 3.619 1.198 ( -0.872 0.859 4.262) 4.435 1.252 ( 0.640 1.959 -4.056) 4.549 1.381 ( -1.599 1.566 1.576) 2.738 1.444 ( 1.065 -2.009 -1.455) 2.699 1.530 ( -1.399 -1.691 -0.804) 2.338 1.697 ( 2.464 1.433 -2.017) 3.492 1.751 ( 0.316 0.668 0.979) 1.227 1.849 ( -3.066 -3.802 0.503) 4.910 1.959 ( 1.574 3.998 -2.216) 4.835 2.065 ( -5.537 1.962 -0.522) 5.898 2.112 ( -0.918 -0.962 1.134) 1.748 2.167 ( 2.739 -2.665 0.316) 3.835 2.709 ( -10.742 0.522 -13.115) 16.961 2.921 ( 10.458 -0.159 -14.172) 17.613 3.357 ( -4.301 -0.476 0.787) 4.399 3.423 ( 1.688 0.509 0.016) 1.763 4.088 ( 1.822 0.387 4.055) 4.463 4.149 ( 0.806 0.542 4.244) 4.354 4.572 ( -1.168 -0.940 1.117) 1.870 4.742 ( -0.278 0.033 -0.507) 0.579 ======================= Grid point 144 (48/180) ======================= q-point: (-0.45 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -7.078 -3.540 -0.151) 7.915 0.918 ( -4.756 2.401 -1.223) 5.466 1.011 ( -2.917 -1.572 6.737) 7.508 1.043 ( -5.853 -1.475 0.716) 6.079 1.159 ( -1.255 1.937 3.931) 4.558 1.252 ( -0.740 0.033 -1.470) 1.646 1.336 ( -0.433 2.502 0.099) 2.541 1.470 ( -1.727 -2.775 0.765) 3.356 1.523 ( -0.008 -1.020 -0.816) 1.306 1.712 ( -3.856 2.538 -0.340) 4.629 1.740 ( -1.015 -1.519 1.394) 2.298 1.809 ( -0.364 -0.625 1.262) 1.454 1.923 ( -5.604 1.093 2.357) 6.177 1.960 ( 0.183 3.444 -1.554) 3.783 2.101 ( -1.042 -1.814 -0.665) 2.195 2.224 ( 0.807 -3.769 -2.352) 4.515 2.504 ( -8.999 1.417 -11.172) 14.415 3.105 ( 7.673 -0.055 -14.661) 16.547 3.255 ( -5.831 -0.633 2.253) 6.283 3.442 ( 1.120 0.785 1.071) 1.737 4.139 ( 3.258 0.746 3.030) 4.512 4.160 ( 0.463 1.717 3.784) 4.181 4.556 ( -1.074 -2.281 0.750) 2.631 4.731 ( -0.695 -0.097 -0.672) 0.972 ======================= Grid point 145 (49/180) ======================= q-point: (-0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -7.405 -2.124 -0.391) 7.714 0.767 ( -8.015 5.433 -0.179) 9.685 0.920 ( -5.695 -2.889 3.461) 7.264 0.956 ( -4.004 -1.041 6.085) 7.358 1.138 ( -1.380 0.741 1.565) 2.214 1.206 ( -2.517 -1.144 1.767) 3.281 1.331 ( -2.128 0.793 -0.420) 2.309 1.427 ( -2.208 0.518 3.598) 4.254 1.485 ( -5.185 1.971 1.792) 5.829 1.523 ( -9.009 1.693 2.169) 9.420 1.749 ( -1.294 -3.674 -0.253) 3.903 1.778 ( -2.963 0.087 -0.230) 2.973 1.876 ( 0.654 2.790 3.795) 4.755 1.938 ( -0.951 1.120 0.211) 1.485 2.094 ( -1.152 -4.501 -3.133) 5.603 2.236 ( -1.131 -4.303 -3.136) 5.444 2.356 ( -4.547 2.992 -7.529) 9.291 3.145 ( -5.141 -0.773 3.692) 6.376 3.214 ( 3.193 0.080 -12.946) 13.335 3.487 ( 4.091 1.058 1.050) 4.354 4.139 ( -2.278 -0.544 2.612) 3.509 4.201 ( 3.073 2.148 1.930) 4.216 4.548 ( -0.620 -0.841 0.110) 1.051 4.723 ( -0.012 -0.579 -0.996) 1.152 ======================= Grid point 146 (50/180) ======================= q-point: (-0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -7.729 1.588 0.384) 7.900 0.563 ( -8.954 7.855 1.104) 11.962 0.860 ( -2.358 -3.837 4.348) 6.259 0.880 ( -3.617 -0.606 8.740) 9.478 1.063 ( -6.695 -0.349 1.164) 6.804 1.157 ( -6.479 3.199 5.591) 9.137 1.219 ( -2.158 1.409 6.248) 6.759 1.270 ( -7.937 1.054 3.201) 8.622 1.406 ( -5.442 1.180 0.318) 5.577 1.445 ( 0.022 0.171 0.754) 0.774 1.684 ( -3.726 0.485 0.953) 3.876 1.739 ( -2.898 -0.719 -2.056) 3.625 1.866 ( -0.675 1.214 3.660) 3.914 1.928 ( -0.415 -2.342 1.547) 2.838 2.098 ( -0.683 -5.619 -3.995) 6.928 2.242 ( 0.259 -6.168 -0.093) 6.174 2.294 ( -0.415 3.883 -3.747) 5.412 3.065 ( -3.071 -0.560 4.864) 5.780 3.256 ( 1.806 0.991 -9.270) 9.496 3.579 ( 4.961 1.010 -0.463) 5.083 4.070 ( -6.084 -4.878 0.915) 7.852 4.232 ( 0.838 1.940 0.115) 2.116 4.539 ( 0.608 3.771 -0.924) 3.930 4.739 ( 1.161 -0.629 -1.349) 1.888 ======================= Grid point 147 (51/180) ======================= q-point: (-0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( -2.968 4.916 7.001) 9.055 0.365 ( -5.857 10.638 4.831) 13.069 0.739 ( -12.664 4.958 16.376) 21.287 0.815 ( -2.934 -2.673 5.579) 6.847 0.960 ( 0.928 -1.880 2.125) 2.985 1.063 ( -1.331 1.620 3.121) 3.760 1.137 ( -4.512 0.950 5.681) 7.316 1.222 ( 0.610 0.052 6.726) 6.754 1.274 ( -7.016 2.195 0.542) 7.371 1.422 ( -1.933 0.563 -0.578) 2.094 1.632 ( -1.157 0.529 0.432) 1.343 1.677 ( -2.836 -0.291 -1.379) 3.166 1.847 ( -0.585 0.614 1.966) 2.141 1.936 ( -0.517 -4.673 0.529) 4.731 2.118 ( 0.008 -5.035 -3.569) 6.172 2.275 ( 0.521 3.099 -2.183) 3.827 2.373 ( 10.167 -12.212 11.878) 19.840 3.032 ( -0.167 0.315 6.255) 6.265 3.285 ( 2.053 2.692 -7.238) 7.991 3.657 ( 2.959 0.608 -0.543) 3.069 3.916 ( -14.077 -9.457 -2.387) 17.126 4.222 ( -0.720 0.934 -1.317) 1.768 4.540 ( 2.488 10.670 -4.144) 11.714 4.765 ( 1.055 -0.057 -1.581) 1.901 ======================= Grid point 148 (52/180) ======================= q-point: (-0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -0.000 10.921 7.800) 13.421 0.284 ( -0.000 3.373 12.829) 13.264 0.511 ( -0.000 7.288 21.911) 23.092 0.796 ( 0.000 -1.709 5.627) 5.881 0.991 ( 0.000 -5.099 3.611) 6.248 1.085 ( -0.000 0.781 6.877) 6.921 1.107 ( -0.000 3.702 2.975) 4.749 1.127 ( -0.000 2.127 -0.018) 2.127 1.229 ( -0.000 0.163 7.469) 7.471 1.394 ( -0.000 0.455 -1.163) 1.248 1.622 ( -0.000 0.322 -1.243) 1.284 1.648 ( 0.000 -0.592 0.759) 0.963 1.843 ( 0.000 -0.366 -1.549) 1.592 1.951 ( 0.000 -4.008 0.464) 4.035 2.139 ( 0.000 -4.002 -3.516) 5.327 2.267 ( -0.000 3.105 -1.789) 3.583 2.726 ( 0.000 -32.557 9.789) 33.997 3.067 ( 0.000 -2.756 9.667) 10.052 3.322 ( -0.000 4.959 -8.943) 10.225 3.609 ( 0.000 -0.012 2.382) 2.382 3.696 ( -0.000 1.476 -0.369) 1.522 4.211 ( 0.000 -0.006 -1.684) 1.684 4.507 ( -0.000 16.609 -6.906) 17.987 4.776 ( -0.000 0.145 -1.633) 1.639 ======================= Grid point 151 (53/180) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 6.023 -0.000 -3.650) 7.043 0.867 ( 8.378 -0.000 -0.550) 8.396 1.042 ( 3.340 -0.000 5.954) 6.827 1.084 ( 6.188 -0.000 3.718) 7.220 1.121 ( -0.319 0.000 3.036) 3.052 1.235 ( -4.395 0.000 1.720) 4.719 1.291 ( 2.971 -0.000 0.060) 2.972 1.526 ( 1.536 -0.000 2.605) 3.024 1.537 ( 3.043 -0.000 -1.232) 3.283 1.666 ( 4.595 -0.000 -1.201) 4.749 1.813 ( 1.749 -0.000 1.339) 2.202 1.827 ( -2.542 0.000 2.809) 3.789 1.840 ( 0.742 -0.000 -2.115) 2.242 1.909 ( 5.192 -0.000 0.400) 5.208 2.141 ( -1.027 0.000 -0.373) 1.093 2.286 ( -1.588 0.000 -2.519) 2.978 2.475 ( 10.365 -0.000 -12.681) 16.378 3.107 ( -7.682 0.000 -14.592) 16.491 3.268 ( 5.656 -0.000 2.092) 6.030 3.427 ( -0.834 0.000 1.111) 1.389 4.095 ( -1.877 0.000 4.389) 4.773 4.161 ( -1.192 0.000 2.800) 3.043 4.595 ( 0.904 -0.000 0.774) 1.190 4.732 ( 0.348 -0.000 -0.744) 0.822 ======================= Grid point 152 (54/180) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 4.673 0.708 -2.877) 5.534 0.925 ( -3.198 -0.298 -0.878) 3.330 1.096 ( 2.162 0.592 5.259) 5.717 1.134 ( -3.128 0.312 6.874) 7.559 1.177 ( 4.529 0.037 -0.887) 4.615 1.187 ( 2.880 -1.431 1.243) 3.448 1.354 ( 2.785 -0.256 0.831) 2.918 1.521 ( -2.655 2.610 -0.723) 3.792 1.541 ( -2.118 -1.477 -0.573) 2.645 1.667 ( 0.385 -0.325 -3.811) 3.844 1.772 ( -1.005 1.363 1.707) 2.404 1.841 ( -1.240 -2.500 -1.025) 2.973 1.953 ( 6.589 2.968 0.606) 7.252 1.992 ( 3.651 -2.693 -1.380) 4.742 2.134 ( 0.268 0.265 1.826) 1.864 2.221 ( -4.868 0.586 -1.069) 5.019 2.697 ( 11.443 -0.160 -13.765) 17.901 2.924 ( -10.204 0.042 -14.022) 17.342 3.369 ( 4.239 0.146 0.484) 4.269 3.410 ( -1.522 -0.172 0.281) 1.557 4.073 ( -0.275 -0.256 4.596) 4.611 4.143 ( -0.285 0.003 3.945) 3.955 4.594 ( -0.898 0.267 1.084) 1.433 4.741 ( 0.345 -0.018 -0.535) 0.637 ======================= Grid point 153 (55/180) ======================= q-point: (-0.64 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.508 -1.238 0.301) 7.616 0.947 ( 2.428 0.332 -2.560) 3.544 1.064 ( -3.571 -0.345 6.383) 7.323 1.109 ( -1.508 -0.352 2.695) 3.108 1.204 ( -0.422 0.491 4.685) 4.730 1.265 ( 1.762 0.965 -4.479) 4.909 1.396 ( 0.045 1.381 1.471) 2.018 1.430 ( -1.873 -1.005 -1.546) 2.629 1.514 ( -1.442 -1.433 -0.830) 2.196 1.709 ( 3.149 0.898 -2.070) 3.874 1.762 ( 0.140 1.631 1.234) 2.050 1.816 ( -2.445 -3.302 0.761) 4.178 1.990 ( 0.814 2.553 -2.928) 3.969 2.080 ( -4.022 1.191 -0.893) 4.289 2.104 ( -0.701 -0.635 0.933) 1.329 2.144 ( 0.768 -2.044 1.452) 2.622 2.713 ( -10.555 0.312 -12.906) 16.676 2.919 ( 10.551 -0.099 -14.231) 17.716 3.354 ( -4.311 -0.285 0.879) 4.409 3.427 ( 1.739 0.296 -0.060) 1.765 4.090 ( 1.985 0.131 3.953) 4.425 4.154 ( 1.352 0.446 4.269) 4.500 4.564 ( -1.873 -0.578 1.133) 2.264 4.742 ( -0.274 0.016 -0.501) 0.571 ======================= Grid point 154 (56/180) ======================= q-point: (-0.55 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -7.042 -2.678 1.203) 7.629 0.939 ( -3.471 1.976 -1.454) 4.250 0.998 ( -3.442 -1.310 6.041) 7.075 1.032 ( -5.760 -0.976 0.763) 5.892 1.176 ( -1.408 1.601 4.880) 5.326 1.251 ( -2.302 -0.226 -2.596) 3.477 1.357 ( -0.207 2.077 -0.925) 2.283 1.445 ( -1.479 -2.476 -0.043) 2.884 1.514 ( 0.944 -0.756 -0.371) 1.265 1.728 ( -4.113 -0.271 1.711) 4.463 1.736 ( -1.216 1.716 0.410) 2.143 1.803 ( 0.520 -0.593 0.254) 0.829 1.934 ( -5.394 1.123 3.193) 6.368 1.984 ( -0.604 1.739 -1.995) 2.715 2.089 ( -2.137 -0.607 -0.215) 2.231 2.189 ( 0.818 -3.516 -2.517) 4.401 2.516 ( -8.554 1.014 -10.643) 13.692 3.105 ( 7.686 -0.038 -14.707) 16.595 3.250 ( -5.897 -0.473 2.324) 6.356 3.449 ( 1.239 0.584 1.052) 1.727 4.139 ( 2.121 -0.350 2.919) 3.625 4.182 ( 1.937 2.420 3.756) 4.870 4.536 ( -1.254 -1.947 0.742) 2.432 4.730 ( -0.830 -0.087 -0.649) 1.057 ======================= Grid point 155 (57/180) ======================= q-point: (-0.45 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -5.637 -1.288 1.146) 5.895 0.816 ( -6.754 5.069 0.712) 8.475 0.894 ( -6.316 -2.421 2.206) 7.114 0.944 ( -4.153 -1.669 5.501) 7.092 1.145 ( -2.255 0.903 0.543) 2.489 1.195 ( -2.107 -1.227 2.273) 3.333 1.339 ( -3.018 1.031 0.351) 3.208 1.423 ( 0.009 -1.164 2.121) 2.419 1.502 ( -2.743 1.515 -0.167) 3.138 1.548 ( -11.314 3.522 3.211) 12.277 1.716 ( -1.223 -3.432 0.406) 3.666 1.782 ( -2.286 0.668 -0.340) 2.406 1.903 ( 0.762 2.910 3.681) 4.753 1.943 ( -2.862 -0.168 0.663) 2.943 2.054 ( -2.075 -4.057 -2.662) 5.277 2.197 ( -1.507 -3.759 -3.461) 5.327 2.380 ( -4.066 2.225 -6.877) 8.293 3.139 ( -5.134 -0.633 3.718) 6.371 3.214 ( 3.393 0.060 -13.255) 13.683 3.497 ( 4.162 0.941 1.302) 4.461 4.132 ( -3.218 -0.741 2.496) 4.139 4.221 ( 2.692 2.183 2.159) 4.083 4.540 ( 0.925 -0.849 -0.093) 1.259 4.718 ( -0.258 -0.532 -0.950) 1.119 ======================= Grid point 156 (58/180) ======================= q-point: (-0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -5.209 3.428 1.142) 6.340 0.635 ( -7.846 7.487 2.518) 11.133 0.821 ( -2.934 -4.264 3.688) 6.355 0.872 ( -3.364 -1.304 7.322) 8.163 1.065 ( -4.964 0.510 0.148) 4.992 1.180 ( -2.276 1.571 5.110) 5.810 1.235 ( -4.542 1.771 6.658) 8.252 1.288 ( -10.278 2.871 4.178) 11.460 1.418 ( -4.329 1.230 0.359) 4.514 1.447 ( -0.107 0.371 -0.463) 0.603 1.687 ( -2.707 -0.012 -0.001) 2.707 1.734 ( -2.434 -0.029 -1.953) 3.121 1.861 ( -3.107 -2.748 1.513) 4.415 1.916 ( -0.772 0.240 4.003) 4.084 2.048 ( -0.740 -5.033 -3.068) 5.940 2.182 ( -1.452 -6.315 -0.210) 6.483 2.327 ( -0.507 3.073 -3.632) 4.785 3.061 ( -2.770 -0.394 4.873) 5.619 3.265 ( 2.444 0.936 -9.972) 10.309 3.589 ( 4.948 1.110 0.118) 5.072 4.029 ( -8.057 -3.780 1.666) 9.055 4.245 ( 0.193 1.003 0.344) 1.078 4.574 ( 3.065 3.555 -1.444) 4.911 4.732 ( 1.292 -0.818 -1.334) 2.029 ======================= Grid point 157 (59/180) ======================= q-point: (-0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -1.943 6.768 6.191) 9.376 0.462 ( -5.077 9.740 5.570) 12.315 0.782 ( -3.669 -2.888 6.717) 8.181 0.795 ( -6.060 4.684 11.359) 13.700 0.949 ( -3.434 0.278 2.994) 4.564 1.081 ( -0.961 2.046 3.285) 3.988 1.149 ( -3.641 1.682 5.603) 6.890 1.222 ( 0.619 -0.114 6.808) 6.837 1.299 ( -6.282 3.076 0.023) 6.995 1.428 ( -1.777 0.659 -0.882) 2.091 1.639 ( -1.290 1.145 -0.527) 1.803 1.676 ( -2.790 0.096 -1.954) 3.407 1.841 ( -0.884 -3.275 1.146) 3.580 1.891 ( -2.089 -3.587 1.222) 4.327 2.068 ( 0.216 -5.574 -2.465) 6.099 2.239 ( 3.419 -11.734 9.052) 15.209 2.319 ( 1.231 2.176 -0.249) 2.513 3.037 ( 0.505 0.630 6.304) 6.356 3.309 ( 2.813 2.466 -8.163) 8.980 3.664 ( 2.666 0.932 0.046) 2.825 3.842 ( -13.252 -6.450 0.600) 14.750 4.227 ( -1.242 0.295 -1.164) 1.728 4.626 ( 4.489 7.721 -5.025) 10.248 4.764 ( 1.328 -0.145 -1.661) 2.131 ======================= Grid point 158 (60/180) ======================= q-point: (-0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -0.000 5.462 11.311) 12.560 0.349 ( -0.000 9.425 8.535) 12.715 0.615 ( -0.000 14.679 15.720) 21.508 0.773 ( 0.000 -3.138 6.418) 7.144 0.939 ( 0.000 -5.938 3.734) 7.015 1.094 ( -0.000 1.131 6.794) 6.888 1.140 ( -0.000 3.320 2.958) 4.446 1.157 ( -0.000 4.387 -0.876) 4.473 1.230 ( -0.000 0.111 7.340) 7.340 1.399 ( -0.000 0.755 -1.187) 1.407 1.626 ( -0.000 0.595 -1.284) 1.415 1.644 ( 0.000 -0.075 -0.499) 0.505 1.839 ( 0.000 -0.655 -1.543) 1.676 1.897 ( 0.000 -7.464 0.857) 7.513 2.097 ( 0.000 -4.988 -2.555) 5.604 2.293 ( -0.000 1.639 -1.470) 2.201 2.443 ( 0.000 -25.064 18.406) 31.097 3.060 ( -0.000 0.389 8.450) 8.459 3.352 ( -0.000 2.110 -9.139) 9.379 3.609 ( 0.000 -0.020 2.376) 2.376 3.707 ( -0.000 0.886 0.418) 0.980 4.211 ( 0.000 -0.010 -1.678) 1.678 4.641 ( -0.000 11.286 -9.986) 15.070 4.778 ( -0.000 0.243 -1.731) 1.748 ======================= Grid point 163 (61/180) ======================= q-point: (-0.73 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -7.828 0.000 0.634) 7.853 0.949 ( 2.446 -0.000 -2.673) 3.623 1.062 ( -3.581 0.000 6.379) 7.315 1.107 ( -1.704 0.000 2.437) 2.974 1.207 ( -0.298 0.000 4.811) 4.820 1.270 ( 2.239 -0.000 -4.567) 5.087 1.403 ( 2.451 -0.000 1.504) 2.875 1.425 ( -5.033 0.000 -1.743) 5.326 1.507 ( -1.244 0.000 -0.795) 1.476 1.713 ( 3.406 -0.000 -2.165) 4.036 1.775 ( 0.764 -0.000 1.526) 1.707 1.795 ( -2.909 0.000 0.738) 3.001 2.003 ( 0.139 -0.000 -3.346) 3.349 2.086 ( -1.690 0.000 -1.465) 2.237 2.101 ( -1.145 0.000 1.019) 1.533 2.134 ( -0.823 0.000 2.295) 2.438 2.715 ( -10.489 0.000 -12.828) 16.570 2.919 ( 10.588 -0.000 -14.255) 17.757 3.352 ( -4.313 0.000 0.914) 4.409 3.429 ( 1.758 -0.000 -0.089) 1.760 4.091 ( 2.007 -0.000 3.927) 4.410 4.156 ( 1.605 -0.000 4.266) 4.558 4.562 ( -2.148 0.000 1.139) 2.431 4.742 ( -0.274 0.000 -0.498) 0.569 ======================= Grid point 165 (62/180) ======================= q-point: (-0.64 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -6.986 -1.004 1.999) 7.335 0.953 ( -2.381 0.948 -2.222) 3.391 0.988 ( -4.032 -0.676 6.259) 7.476 1.026 ( -5.847 -0.357 0.829) 5.916 1.186 ( -1.254 0.659 5.916) 6.083 1.249 ( -3.369 -0.154 -3.619) 4.947 1.373 ( 0.012 1.077 -1.695) 2.008 1.426 ( -1.589 -1.286 -0.620) 2.136 1.509 ( 1.555 -0.262 0.092) 1.580 1.725 ( -3.675 -0.162 2.497) 4.446 1.750 ( -1.863 0.839 0.228) 2.056 1.799 ( 1.038 -0.250 -0.302) 1.110 1.942 ( -5.096 0.515 3.730) 6.336 1.993 ( -1.203 0.317 -2.468) 2.764 2.089 ( -3.369 0.300 0.528) 3.423 2.163 ( 1.423 -1.692 -2.957) 3.692 2.522 ( -8.324 0.365 -10.358) 13.293 3.105 ( 7.699 -0.013 -14.740) 16.630 3.247 ( -5.935 -0.174 2.368) 6.392 3.452 ( 1.308 0.215 1.040) 1.685 4.136 ( 1.810 -0.164 2.990) 3.499 4.198 ( 2.486 0.996 3.613) 4.498 4.523 ( -1.414 -0.790 0.734) 1.778 4.730 ( -0.906 -0.035 -0.636) 1.108 ======================= Grid point 166 (63/180) ======================= q-point: (-0.55 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -4.039 -0.583 2.389) 4.729 0.859 ( -5.237 3.953 1.406) 6.710 0.877 ( -7.249 -1.024 1.807) 7.541 0.925 ( -4.582 -2.451 4.434) 6.832 1.154 ( -3.520 0.874 -1.100) 3.790 1.184 ( -1.070 -1.041 3.552) 3.853 1.349 ( -3.789 1.128 1.896) 4.384 1.410 ( 1.034 -1.430 -0.044) 1.765 1.512 ( -1.972 0.695 -0.966) 2.304 1.581 ( -11.287 3.207 2.852) 12.075 1.687 ( -1.323 -2.615 1.339) 3.222 1.789 ( -1.544 0.745 -0.232) 1.730 1.929 ( 0.349 2.414 3.281) 4.088 1.937 ( -3.599 -0.602 1.242) 3.855 2.020 ( -3.166 -3.185 -2.117) 4.965 2.170 ( -1.565 -2.020 -3.800) 4.580 2.396 ( -3.825 1.171 -6.503) 7.635 3.134 ( -5.119 -0.347 3.743) 6.351 3.215 ( 3.546 0.030 -13.491) 13.949 3.504 ( 4.221 0.550 1.476) 4.505 4.126 ( -3.632 -0.488 2.523) 4.449 4.238 ( 1.925 1.343 2.258) 3.258 4.533 ( 2.268 -0.548 -0.276) 2.350 4.714 ( -0.464 -0.316 -0.911) 1.070 ======================= Grid point 167 (64/180) ======================= q-point: (-0.45 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -2.825 3.632 1.952) 4.998 0.697 ( -7.355 5.526 4.309) 10.159 0.786 ( -3.642 -2.920 2.867) 5.478 0.855 ( -3.187 -2.364 5.691) 6.937 1.071 ( -3.578 0.701 -0.547) 3.687 1.188 ( 0.076 0.419 4.951) 4.970 1.249 ( -4.922 1.321 6.353) 8.145 1.321 ( -11.817 4.015 4.847) 13.389 1.427 ( -1.892 0.726 -0.145) 2.032 1.451 ( -1.601 0.453 -1.287) 2.103 1.682 ( -1.026 -1.108 -0.335) 1.547 1.740 ( -2.638 1.194 -1.544) 3.282 1.826 ( -5.864 -4.192 1.438) 7.350 1.924 ( -1.101 1.067 3.501) 3.822 2.007 ( -0.759 -3.722 -1.460) 4.070 2.132 ( -2.879 -4.383 -0.642) 5.284 2.350 ( -0.532 1.928 -3.430) 3.971 3.058 ( -2.450 -0.197 4.865) 5.451 3.272 ( 2.938 0.642 -10.572) 10.991 3.598 ( 4.981 0.871 0.604) 5.093 4.001 ( -9.290 -2.397 2.164) 9.836 4.251 ( -0.320 0.470 0.507) 0.762 4.603 ( 4.664 2.523 -1.720) 5.575 4.725 ( 1.332 -0.789 -1.309) 2.027 ======================= Grid point 168 (65/180) ======================= q-point: (-0.36 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -1.467 6.951 5.505) 8.987 0.540 ( -5.405 7.017 7.042) 11.316 0.742 ( -2.432 -4.527 6.270) 8.107 0.825 ( -0.934 0.251 6.508) 6.579 0.982 ( -6.374 6.768 4.328) 10.255 1.100 ( -1.721 2.183 3.781) 4.693 1.167 ( -2.782 1.962 5.578) 6.535 1.220 ( 0.559 -0.253 6.837) 6.864 1.329 ( -5.480 3.440 -0.973) 6.543 1.433 ( -1.525 0.360 -1.211) 1.980 1.652 ( -1.330 1.391 -1.125) 2.229 1.678 ( -2.692 0.281 -2.318) 3.564 1.782 ( -1.527 -7.841 1.721) 8.171 1.880 ( -3.361 0.136 0.867) 3.474 2.013 ( -0.039 -6.356 -0.312) 6.364 2.140 ( 0.926 -8.758 8.072) 11.946 2.342 ( 0.481 2.251 -1.536) 2.767 3.043 ( 1.012 0.646 6.249) 6.363 3.329 ( 3.116 1.755 -8.987) 9.673 3.674 ( 2.480 1.119 0.662) 2.800 3.794 ( -12.083 -4.047 1.871) 12.879 4.228 ( -1.435 0.096 -1.060) 1.786 4.683 ( 4.744 4.624 -4.447) 7.979 4.762 ( 1.684 -0.292 -1.786) 2.472 ======================= Grid point 169 (66/180) ======================= q-point: (-0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -0.000 6.020 9.891) 11.579 0.426 ( -0.000 7.492 9.830) 12.359 0.737 ( 0.000 -3.694 7.130) 8.030 0.770 ( -0.000 16.967 10.136) 19.764 0.884 ( 0.000 -5.837 3.911) 7.027 1.104 ( -0.000 1.054 6.727) 6.809 1.167 ( -0.000 2.438 2.918) 3.802 1.203 ( -0.000 4.864 -1.372) 5.053 1.232 ( -0.000 0.624 6.181) 6.213 1.407 ( -0.000 0.804 -1.208) 1.451 1.633 ( -0.000 0.738 -1.344) 1.533 1.648 ( -0.000 0.893 -1.790) 2.001 1.817 ( 0.000 -9.483 1.445) 9.593 1.832 ( 0.000 -0.781 -1.532) 1.719 2.047 ( 0.000 -5.752 -0.430) 5.768 2.222 ( 0.000 -14.834 13.434) 20.013 2.343 ( -0.000 0.839 1.256) 1.510 3.067 ( -0.000 0.860 7.860) 7.907 3.367 ( -0.000 1.299 -9.230) 9.321 3.609 ( 0.000 -0.022 2.369) 2.369 3.714 ( -0.000 0.602 1.028) 1.191 4.211 ( 0.000 -0.011 -1.671) 1.671 4.717 ( -0.000 5.680 -7.907) 9.736 4.780 ( -0.000 0.250 -1.910) 1.927 ======================= Grid point 176 (67/180) ======================= q-point: (-0.64 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -3.388 0.000 2.875) 4.443 0.868 ( -6.276 0.000 -0.285) 6.282 0.893 ( -5.175 0.000 6.751) 8.506 0.902 ( -5.612 0.000 0.878) 5.680 1.159 ( -4.892 0.000 -3.036) 5.757 1.178 ( 0.239 -0.000 5.355) 5.360 1.356 ( -4.523 0.000 3.273) 5.583 1.402 ( 1.860 -0.000 -1.649) 2.486 1.516 ( -1.838 0.000 -1.190) 2.190 1.598 ( -11.494 0.000 2.297) 11.721 1.673 ( -0.982 0.000 1.980) 2.210 1.793 ( -1.197 0.000 -0.100) 1.201 1.932 ( -5.526 0.000 0.748) 5.576 1.945 ( 2.518 -0.000 4.189) 4.888 2.002 ( -4.362 0.000 -2.293) 4.928 2.160 ( -1.535 0.000 -3.924) 4.213 2.402 ( -3.751 0.000 -6.380) 7.401 3.133 ( -5.112 0.000 3.754) 6.342 3.215 ( 3.603 -0.000 -13.579) 14.049 3.506 ( 4.244 -0.000 1.537) 4.513 4.124 ( -3.758 0.000 2.547) 4.540 4.245 ( 1.563 -0.000 2.292) 2.775 4.531 ( 2.815 -0.000 -0.352) 2.837 4.712 ( -0.545 0.000 -0.896) 1.049 ======================= Grid point 178 (68/180) ======================= q-point: (-0.55 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -1.135 1.679 2.613) 3.307 0.725 ( -7.346 0.537 3.916) 8.342 0.781 ( -4.639 1.716 5.669) 7.524 0.830 ( -2.797 -2.550 2.766) 4.688 1.076 ( -2.835 0.309 -0.910) 2.993 1.190 ( 0.690 0.061 4.975) 5.023 1.258 ( -4.791 0.527 6.472) 8.070 1.352 ( -11.895 2.008 4.414) 12.846 1.431 ( 0.485 0.218 -1.030) 1.160 1.454 ( -3.260 0.171 -1.290) 3.510 1.672 ( -0.133 -0.769 0.094) 0.786 1.753 ( -2.568 1.236 -0.813) 2.964 1.793 ( -7.503 -2.412 1.096) 7.957 1.932 ( -2.141 0.503 1.525) 2.677 1.982 ( -0.264 -1.489 0.850) 1.734 2.104 ( -3.721 -1.527 -1.006) 4.146 2.362 ( -0.541 0.657 -3.305) 3.413 3.057 ( -2.253 -0.056 4.855) 5.353 3.276 ( 3.201 0.226 -10.912) 11.374 3.604 ( 5.026 0.332 0.874) 5.112 3.985 ( -9.878 -0.826 2.412) 10.202 4.254 ( -0.582 0.138 0.583) 0.835 4.619 ( 5.486 0.942 -1.838) 5.862 4.719 ( 1.262 -0.359 -1.280) 1.833 ======================= Grid point 179 (69/180) ======================= q-point: (-0.45 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( -1.253 5.282 5.179) 7.503 0.589 ( -5.412 3.303 7.262) 9.640 0.705 ( -3.007 -2.973 7.710) 8.793 0.812 ( -0.294 -2.102 3.896) 4.436 1.048 ( -1.132 5.797 2.286) 6.334 1.123 ( -5.023 2.830 4.678) 7.424 1.181 ( -2.342 1.025 5.889) 6.420 1.218 ( 0.421 -0.185 6.819) 6.835 1.360 ( -5.034 2.800 -2.163) 6.153 1.434 ( -1.139 -0.247 -1.301) 1.746 1.661 ( -0.939 0.210 -0.818) 1.263 1.673 ( -3.413 -1.811 -0.684) 3.924 1.724 ( -1.763 -3.062 0.314) 3.547 1.885 ( -4.067 1.159 0.475) 4.256 1.954 ( -1.042 -6.110 2.436) 6.659 2.082 ( 0.085 -3.878 5.491) 6.723 2.359 ( 0.331 1.195 -1.615) 2.036 3.048 ( 1.311 0.395 6.179) 6.329 3.341 ( 3.213 0.903 -9.556) 10.122 3.684 ( 2.715 0.947 1.115) 3.084 3.765 ( -11.605 -2.194 2.390) 12.050 4.229 ( -1.506 0.028 -1.011) 1.814 4.715 ( 4.463 2.333 -3.747) 6.277 4.759 ( 2.028 -0.409 -1.943) 2.838 ======================= Grid point 180 (70/180) ======================= q-point: (-0.36 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -0.000 5.011 8.916) 10.228 0.491 ( -0.000 6.552 9.479) 11.523 0.694 ( 0.000 -4.983 8.405) 9.771 0.834 ( 0.000 -4.717 4.071) 6.231 0.927 ( -0.000 15.849 6.479) 17.123 1.112 ( -0.000 0.584 6.570) 6.596 1.185 ( -0.000 1.469 2.880) 3.233 1.223 ( -0.000 0.215 6.231) 6.235 1.258 ( -0.000 3.698 -3.155) 4.862 1.414 ( -0.000 0.598 -1.217) 1.356 1.639 ( -0.000 0.641 -1.406) 1.545 1.656 ( -0.000 0.232 -1.733) 1.748 1.733 ( 0.000 -7.457 1.340) 7.577 1.825 ( 0.000 -0.656 -1.517) 1.653 1.988 ( 0.000 -6.918 4.654) 8.338 2.115 ( 0.000 -7.754 9.220) 12.047 2.357 ( -0.000 1.495 -0.769) 1.682 3.074 ( -0.000 0.705 7.539) 7.572 3.377 ( -0.000 0.786 -9.406) 9.439 3.609 ( 0.000 -0.017 2.363) 2.363 3.719 ( -0.000 0.391 1.411) 1.464 4.211 ( 0.000 -0.009 -1.664) 1.664 4.754 ( -0.000 2.634 -5.725) 6.302 4.782 ( -0.000 0.132 -2.188) 2.192 ======================= Grid point 189 (71/180) ======================= q-point: (-0.55 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( -1.185 0.000 5.160) 5.294 0.602 ( -4.707 0.000 6.209) 7.791 0.692 ( -4.136 0.000 9.616) 10.467 0.799 ( -0.293 0.000 2.977) 2.992 1.074 ( 2.457 -0.000 1.124) 2.702 1.142 ( -7.221 0.000 4.286) 8.397 1.185 ( -2.134 0.000 6.570) 6.908 1.217 ( 0.234 -0.000 6.820) 6.824 1.374 ( -5.179 0.000 -2.880) 5.926 1.431 ( -0.796 0.000 -1.070) 1.333 1.650 ( -2.502 0.000 2.473) 3.517 1.669 ( -2.299 0.000 -1.621) 2.813 1.716 ( -1.404 0.000 -1.711) 2.213 1.900 ( -6.418 0.000 -2.773) 6.992 1.914 ( 0.364 -0.000 6.617) 6.627 2.065 ( 0.010 -0.000 4.591) 4.591 2.364 ( 0.291 -0.000 -1.613) 1.639 3.050 ( 1.410 -0.000 6.151) 6.310 3.346 ( 3.234 -0.000 -9.760) 10.282 3.689 ( 3.136 -0.000 1.272) 3.384 3.755 ( -11.779 0.000 2.542) 12.050 4.229 ( -1.525 0.000 -0.997) 1.822 4.726 ( 4.308 -0.000 -3.452) 5.520 4.756 ( 2.167 -0.000 -2.031) 2.970 ======================= Grid point 191 (72/180) ======================= q-point: (-0.45 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -0.000 2.077 8.443) 8.695 0.543 ( -0.000 4.013 8.140) 9.076 0.651 ( 0.000 -3.528 9.889) 10.499 0.802 ( 0.000 -1.952 4.157) 4.592 1.045 ( -0.000 8.193 4.881) 9.537 1.113 ( 0.000 -0.506 6.030) 6.051 1.194 ( -0.000 0.489 2.858) 2.899 1.224 ( 0.000 -0.007 6.939) 6.939 1.278 ( -0.000 0.614 -4.718) 4.757 1.417 ( -0.000 0.219 -1.218) 1.237 1.638 ( 0.000 -2.736 1.599) 3.169 1.644 ( -0.000 0.259 -1.447) 1.470 1.703 ( -0.000 0.000 -2.081) 2.081 1.820 ( 0.000 -0.261 -1.506) 1.529 1.934 ( 0.000 -3.703 8.834) 9.579 2.072 ( 0.000 -2.058 5.180) 5.574 2.367 ( -0.000 0.542 -0.989) 1.128 3.079 ( -0.000 0.265 7.388) 7.393 3.382 ( -0.000 0.267 -9.531) 9.535 3.609 ( 0.000 -0.006 2.359) 2.359 3.721 ( -0.000 0.139 1.601) 1.607 4.211 ( 0.000 -0.003 -1.660) 1.660 4.770 ( -0.000 0.849 -4.432) 4.512 4.782 ( 0.000 -0.037 -2.524) 2.524 ======================= Grid point 254 (73/180) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 10.033) 10.033 0.519 ( 0.000 0.000 12.418) 12.418 0.843 ( 0.000 0.000 8.922) 8.922 0.993 ( 0.000 0.000 17.128) 17.128 1.108 ( 0.000 0.000 4.517) 4.517 1.138 ( 0.000 0.000 3.134) 3.134 1.159 ( 0.000 0.000 4.698) 4.698 1.234 ( 0.000 0.000 7.677) 7.677 1.366 ( 0.000 0.000 -1.004) 1.004 1.413 ( 0.000 0.000 10.791) 10.791 1.585 ( 0.000 0.000 -2.421) 2.421 1.701 ( 0.000 0.000 4.228) 4.228 1.800 ( 0.000 0.000 -3.112) 3.112 1.965 ( 0.000 0.000 -1.163) 1.163 2.087 ( 0.000 0.000 -2.587) 2.587 2.205 ( 0.000 0.000 -3.177) 3.177 2.822 ( 0.000 0.000 -5.096) 5.096 3.114 ( 0.000 0.000 -9.932) 9.932 3.249 ( 0.000 0.000 6.864) 6.864 3.667 ( 0.000 0.000 -1.540) 1.540 3.675 ( 0.000 0.000 4.313) 4.313 4.163 ( 0.000 0.000 -3.231) 3.231 4.434 ( 0.000 0.000 1.870) 1.870 4.731 ( 0.000 0.000 -2.839) 2.839 ======================= Grid point 255 (74/180) ======================= q-point: ( 0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 4.128 -3.320 8.938) 10.390 0.462 ( -2.810 -1.200 12.493) 12.861 0.943 ( 5.984 -0.194 4.389) 7.423 1.010 ( -1.312 0.097 7.062) 7.184 1.090 ( 4.800 1.860 15.724) 16.545 1.142 ( 2.720 -1.559 6.171) 6.922 1.238 ( 1.054 0.009 3.951) 4.090 1.283 ( 6.456 -1.054 2.031) 6.850 1.347 ( -1.317 -0.252 4.083) 4.297 1.457 ( 3.311 0.189 6.529) 7.323 1.620 ( 3.220 -0.022 -2.435) 4.037 1.710 ( 1.264 0.707 4.683) 4.902 1.836 ( 3.353 -0.135 -2.341) 4.091 1.953 ( -0.947 1.259 -1.732) 2.341 2.075 ( -0.666 1.906 -2.900) 3.534 2.195 ( -1.361 -1.937 -3.432) 4.169 2.588 ( -16.714 4.098 1.629) 17.286 3.091 ( -2.433 -0.478 -10.987) 11.263 3.169 ( -1.949 -0.147 7.416) 7.670 3.626 ( -3.775 -0.574 -1.957) 4.290 3.914 ( 14.152 1.429 -1.306) 14.284 4.188 ( 1.875 -0.337 -1.577) 2.474 4.456 ( 1.463 -2.484 1.029) 3.061 4.724 ( -0.720 0.048 -2.704) 2.799 ======================= Grid point 256 (75/180) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 3.875 -0.979 7.305) 8.327 0.571 ( 7.203 -4.741 6.165) 10.600 0.976 ( -0.288 1.352 4.895) 5.086 1.045 ( 4.846 0.455 6.086) 7.792 1.152 ( 1.347 2.179 5.652) 6.206 1.265 ( 4.179 1.044 4.924) 6.542 1.298 ( 3.508 0.017 2.073) 4.075 1.339 ( 3.116 -4.212 7.639) 9.263 1.413 ( 6.574 -0.805 2.485) 7.074 1.517 ( 2.685 0.994 5.542) 6.238 1.692 ( 3.502 0.479 -3.156) 4.738 1.756 ( 3.888 1.036 5.721) 6.995 1.908 ( 1.193 -0.025 0.370) 1.249 1.920 ( -0.278 -0.053 -3.651) 3.662 2.052 ( -0.262 3.288 -3.677) 4.940 2.176 ( -1.609 -3.933 -4.087) 5.896 2.300 ( -9.060 3.395 0.520) 9.689 3.024 ( -4.338 0.112 -13.765) 14.433 3.173 ( 1.810 0.330 5.352) 5.660 3.544 ( -4.365 -1.005 -1.864) 4.852 4.112 ( 6.962 2.121 -0.022) 7.278 4.221 ( 0.647 -1.645 0.821) 1.949 4.507 ( 2.606 -1.369 0.197) 2.950 4.707 ( -0.687 0.314 -2.345) 2.464 ======================= Grid point 257 (76/180) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 6.943 0.125 2.747) 7.468 0.744 ( 7.586 -3.982 3.036) 9.090 0.993 ( 2.804 1.815 3.011) 4.497 1.132 ( 3.955 1.939 7.804) 8.961 1.166 ( 0.777 0.727 2.175) 2.421 1.280 ( 0.228 0.744 2.854) 2.959 1.318 ( 0.592 0.712 0.722) 1.175 1.454 ( 3.301 -2.288 0.606) 4.062 1.541 ( 0.715 2.799 2.430) 3.776 1.585 ( 8.398 -1.815 5.468) 10.184 1.745 ( 2.118 1.219 -1.597) 2.919 1.826 ( 2.254 1.787 2.984) 4.145 1.877 ( -0.407 -2.293 -2.304) 3.276 1.945 ( -0.566 -2.071 2.615) 3.383 2.043 ( 1.292 3.237 -5.208) 6.267 2.169 ( -0.633 -2.754 -6.935) 7.488 2.211 ( 0.672 1.222 -2.532) 2.891 2.918 ( -6.220 0.399 -17.060) 18.163 3.227 ( 3.637 0.539 3.755) 5.256 3.475 ( -2.812 -0.919 -0.912) 3.096 4.195 ( 2.517 0.555 2.250) 3.421 4.222 ( -1.302 -1.866 2.195) 3.162 4.562 ( 2.512 0.842 0.451) 2.688 4.700 ( 0.279 0.359 -1.785) 1.842 ======================= Grid point 258 (77/180) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.537 0.852 1.612) 6.786 0.888 ( 4.959 -1.572 0.356) 5.214 1.064 ( 4.457 0.867 0.704) 4.595 1.143 ( -1.522 0.586 1.030) 1.929 1.196 ( 2.893 2.205 5.314) 6.440 1.310 ( -0.423 0.013 4.524) 4.544 1.321 ( 2.760 -1.050 0.687) 3.032 1.497 ( -1.249 4.321 -1.820) 4.852 1.507 ( 0.258 0.807 -1.517) 1.737 1.677 ( -1.687 -2.972 -1.060) 3.578 1.775 ( 1.527 0.635 1.103) 1.988 1.845 ( 1.701 -0.113 0.607) 1.810 1.910 ( 0.529 -1.984 0.429) 2.098 1.950 ( 2.055 -1.435 1.443) 2.892 2.086 ( 3.843 2.202 -3.046) 5.375 2.184 ( 1.150 1.864 -7.163) 7.490 2.263 ( 4.036 -3.104 -6.441) 8.211 2.772 ( -8.234 0.386 -18.804) 20.532 3.305 ( 4.110 0.406 2.176) 4.668 3.440 ( -1.200 -0.549 -0.297) 1.353 4.193 ( -1.987 -1.042 3.145) 3.863 4.221 ( 0.355 -0.668 3.186) 3.275 4.595 ( 1.529 1.854 1.136) 2.658 4.713 ( 0.914 -0.007 -1.166) 1.481 ======================= Grid point 259 (78/180) ======================= q-point: ( 0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 5.014 0.415 1.456) 5.238 0.928 ( -1.390 0.451 0.520) 1.551 1.127 ( 1.031 -0.387 -1.139) 1.584 1.134 ( 1.262 -0.535 -1.904) 2.346 1.241 ( 2.132 1.822 4.701) 5.474 1.292 ( -1.074 -0.750 4.158) 4.359 1.385 ( 2.226 -0.600 0.012) 2.305 1.428 ( -2.077 2.382 -2.120) 3.805 1.523 ( 0.922 1.453 -1.420) 2.231 1.621 ( -3.359 -2.288 -3.783) 5.553 1.785 ( 0.042 0.099 2.390) 2.393 1.862 ( -0.049 0.056 -1.318) 1.320 1.925 ( 0.521 -0.424 1.318) 1.479 2.024 ( 2.818 -1.463 -1.923) 3.712 2.143 ( 2.113 0.729 0.691) 2.340 2.178 ( -0.786 1.531 -2.188) 2.783 2.400 ( 7.941 -2.017 -15.378) 17.424 2.593 ( -9.076 0.750 -17.930) 20.110 3.377 ( 3.048 0.235 0.806) 3.161 3.419 ( -1.442 -0.283 0.013) 1.469 4.165 ( -0.938 -0.277 3.716) 3.842 4.224 ( -0.133 -0.451 3.452) 3.484 4.609 ( 0.539 0.900 1.687) 1.987 4.728 ( 0.417 -0.069 -0.816) 0.919 ======================= Grid point 266 (79/180) ======================= q-point: ( 0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 4.253 -0.000 6.971) 8.166 0.548 ( 7.640 -0.000 6.773) 10.209 0.982 ( -0.261 0.000 4.580) 4.587 1.047 ( 5.006 -0.000 6.190) 7.961 1.163 ( 0.492 -0.000 4.817) 4.842 1.281 ( 10.076 -0.000 11.010) 14.925 1.289 ( 3.110 -0.000 -0.237) 3.119 1.317 ( -1.497 0.000 5.226) 5.436 1.409 ( 6.797 -0.000 2.439) 7.221 1.521 ( 2.865 -0.000 5.824) 6.490 1.694 ( 3.632 -0.000 -3.245) 4.871 1.761 ( 3.935 -0.000 5.893) 7.086 1.905 ( 2.484 -0.000 0.709) 2.584 1.921 ( -2.303 0.000 -3.975) 4.594 2.071 ( -0.050 0.000 -4.291) 4.291 2.154 ( -2.029 0.000 -4.004) 4.488 2.316 ( -9.487 0.000 0.265) 9.490 3.024 ( -4.224 0.000 -13.605) 14.246 3.175 ( 1.884 -0.000 5.309) 5.634 3.539 ( -4.310 0.000 -1.872) 4.699 4.123 ( 6.663 -0.000 -0.823) 6.713 4.212 ( 0.428 -0.000 1.371) 1.436 4.501 ( 3.298 -0.000 0.451) 3.328 4.709 ( -0.653 0.000 -2.355) 2.444 ======================= Grid point 267 (80/180) ======================= q-point: ( 0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 7.315 0.266 1.984) 7.584 0.717 ( 8.434 -1.629 3.660) 9.338 1.005 ( 2.590 0.610 2.910) 3.943 1.145 ( 4.692 0.733 7.902) 9.219 1.170 ( 0.185 0.173 2.023) 2.039 1.288 ( -0.724 0.559 4.013) 4.116 1.325 ( 0.357 0.576 0.680) 0.960 1.435 ( 4.874 -1.438 0.689) 5.128 1.560 ( 1.562 1.260 3.611) 4.131 1.573 ( 7.947 -0.859 5.218) 9.545 1.756 ( 2.641 0.775 -2.278) 3.573 1.842 ( -0.865 1.334 -0.250) 1.609 1.858 ( 1.438 -1.509 1.047) 2.333 1.929 ( -0.863 -1.114 3.217) 3.512 2.077 ( 1.741 3.666 -8.095) 9.055 2.132 ( -0.420 -4.017 -5.305) 6.668 2.226 ( -0.356 1.047 -3.217) 3.402 2.921 ( -6.244 0.145 -16.877) 17.995 3.231 ( 3.593 0.213 3.691) 5.155 3.469 ( -2.634 -0.353 -0.839) 2.787 4.200 ( 1.384 0.641 2.148) 2.634 4.208 ( -0.449 -1.126 2.317) 2.614 4.567 ( 3.032 0.298 0.508) 3.089 4.703 ( 0.162 0.135 -1.814) 1.826 ======================= Grid point 268 (81/180) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 6.546 0.611 0.816) 6.625 0.875 ( 6.129 -1.079 0.696) 6.262 1.071 ( 3.956 0.522 0.779) 4.066 1.147 ( -2.304 0.212 0.503) 2.368 1.219 ( 3.388 2.426 6.874) 8.038 1.308 ( 0.719 -1.472 1.122) 1.985 1.311 ( 0.527 -0.088 4.514) 4.546 1.508 ( 2.387 0.183 -1.384) 2.765 1.540 ( -2.126 3.815 -0.995) 4.480 1.651 ( -2.565 -2.625 -1.764) 4.072 1.786 ( 1.513 1.685 0.201) 2.274 1.833 ( 1.557 -2.401 -0.875) 2.993 1.904 ( 1.002 0.499 2.890) 3.099 1.936 ( 2.179 -1.535 1.919) 3.285 2.109 ( 2.847 2.578 -3.158) 4.972 2.188 ( 3.241 -1.144 -11.951) 12.436 2.243 ( 2.648 -0.912 -3.629) 4.584 2.775 ( -8.230 0.215 -18.536) 20.283 3.308 ( 4.007 0.247 2.090) 4.526 3.436 ( -1.040 -0.334 -0.175) 1.106 4.183 ( -1.531 -0.926 3.623) 4.041 4.219 ( 0.158 -0.034 2.879) 2.884 4.609 ( 1.429 1.063 1.077) 2.081 4.713 ( 0.796 -0.029 -1.197) 1.438 ======================= Grid point 269 (82/180) ======================= q-point: ( 0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 4.749 0.477 0.741) 4.830 0.932 ( -1.397 0.352 1.029) 1.770 1.120 ( 0.550 -0.933 -3.193) 3.372 1.133 ( 1.826 0.141 0.217) 1.844 1.256 ( 0.220 1.148 4.973) 5.109 1.287 ( -0.042 -0.127 4.738) 4.740 1.377 ( 2.716 -1.044 0.658) 2.984 1.455 ( -3.633 3.367 -2.765) 5.673 1.531 ( -0.477 0.125 -1.386) 1.471 1.600 ( -1.347 -1.966 -4.050) 4.699 1.791 ( 0.080 1.125 2.080) 2.366 1.851 ( -0.409 -2.155 -0.799) 2.334 1.931 ( 1.185 1.587 0.696) 2.100 2.008 ( 3.390 -1.938 -0.795) 3.984 2.150 ( 1.532 0.725 0.101) 1.698 2.190 ( -1.709 1.088 -2.178) 2.975 2.383 ( 8.943 -1.491 -16.397) 18.736 2.599 ( -8.910 0.485 -17.493) 19.638 3.379 ( 3.007 0.176 0.691) 3.090 3.417 ( -1.366 -0.222 0.148) 1.392 4.162 ( -0.648 -0.290 3.851) 3.916 4.221 ( 0.161 -0.242 3.423) 3.435 4.616 ( -0.169 0.678 1.628) 1.771 4.727 ( 0.469 -0.066 -0.824) 0.951 ======================= Grid point 270 (83/180) ======================= q-point: (-0.55 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -5.556 -0.150 2.260) 6.000 0.924 ( 1.511 -0.435 0.007) 1.573 1.127 ( -2.011 -0.150 0.452) 2.067 1.141 ( 0.032 0.707 -3.244) 3.320 1.225 ( -2.591 -1.429 3.922) 4.913 1.299 ( 0.906 0.656 3.608) 3.777 1.387 ( -2.241 -0.069 -1.243) 2.563 1.412 ( 0.320 -0.962 -0.926) 1.373 1.508 ( -0.993 -1.734 -1.378) 2.427 1.640 ( 4.255 1.773 -3.638) 5.872 1.789 ( 0.092 0.899 2.579) 2.733 1.852 ( -0.414 -1.661 -0.028) 1.712 1.935 ( 0.202 1.415 -0.042) 1.430 2.035 ( -1.859 0.894 -2.610) 3.327 2.138 ( -2.634 -0.384 1.390) 3.003 2.163 ( -0.483 -1.575 -2.250) 2.789 2.419 ( -7.200 1.975 -14.138) 15.988 2.586 ( 9.406 -0.855 -18.598) 20.858 3.374 ( -3.089 -0.220 0.932) 3.234 3.422 ( 1.523 0.251 -0.130) 1.549 4.167 ( 1.124 0.153 3.611) 3.785 4.229 ( 0.627 0.552 3.430) 3.531 4.601 ( -1.335 -0.846 1.764) 2.369 4.729 ( -0.383 0.050 -0.811) 0.899 ======================= Grid point 271 (84/180) ======================= q-point: (-0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -6.368 -0.763 2.639) 6.935 0.902 ( -3.514 1.387 -0.153) 3.781 1.056 ( -5.074 -0.860 0.888) 5.222 1.135 ( -0.328 -1.137 2.935) 3.164 1.182 ( -1.929 -0.809 2.266) 3.084 1.310 ( 0.029 -0.013 4.563) 4.563 1.327 ( -2.984 0.287 -0.201) 3.005 1.453 ( 1.905 -4.658 -2.918) 5.817 1.503 ( -0.376 -0.384 -1.013) 1.147 1.704 ( 1.287 2.561 -1.043) 3.050 1.774 ( -1.613 0.379 1.861) 2.492 1.839 ( -1.339 -1.045 1.904) 2.551 1.935 ( 0.031 2.923 -0.740) 3.015 1.962 ( -2.448 1.067 -0.050) 2.671 2.070 ( -4.126 -1.163 -1.796) 4.648 2.159 ( -1.259 -3.250 -5.019) 6.110 2.294 ( -3.960 3.207 -7.043) 8.693 2.768 ( 8.247 -0.456 -19.195) 20.896 3.301 ( -4.234 -0.431 2.284) 4.830 3.446 ( 1.403 0.581 -0.451) 1.584 4.199 ( 1.761 0.145 2.788) 3.301 4.234 ( 0.248 1.898 3.304) 3.818 4.576 ( -1.730 -2.173 1.250) 3.046 4.713 ( -1.051 -0.036 -1.140) 1.550 ======================= Grid point 272 (85/180) ======================= q-point: (-0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -6.022 0.616 3.644) 7.066 0.787 ( -6.237 5.000 2.340) 8.330 0.972 ( -3.348 -2.726 3.221) 5.387 1.110 ( -3.335 -2.769 7.585) 8.736 1.157 ( -1.582 -1.168 1.894) 2.730 1.278 ( -0.638 0.316 2.253) 2.362 1.313 ( -0.590 -0.339 0.454) 0.818 1.470 ( -1.826 0.730 0.425) 2.012 1.511 ( -0.077 -3.478 0.604) 3.531 1.606 ( -8.507 2.628 5.399) 10.413 1.736 ( -2.156 -0.824 -0.308) 2.328 1.812 ( -2.770 -1.121 3.364) 4.500 1.898 ( -0.693 2.104 -3.094) 3.805 1.962 ( 0.380 1.236 0.759) 1.500 2.021 ( -1.009 -1.145 -1.381) 2.058 2.156 ( 0.300 -4.199 -4.897) 6.458 2.229 ( -1.015 3.759 -4.284) 5.789 2.914 ( 6.184 -0.545 -17.390) 18.465 3.222 ( -3.682 -0.646 3.852) 5.367 3.485 ( 3.092 1.153 -1.024) 3.455 4.190 ( -3.166 -0.571 2.420) 4.026 4.242 ( 1.387 2.335 2.017) 3.383 4.552 ( -1.562 -1.217 0.346) 2.010 4.696 ( -0.481 -0.463 -1.734) 1.858 ======================= Grid point 273 (86/180) ======================= q-point: (-0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -2.813 2.800 7.605) 8.578 0.628 ( -6.267 7.196 5.146) 10.841 0.955 ( 0.096 -3.096 5.623) 6.420 1.038 ( -4.254 -1.084 6.107) 7.521 1.129 ( -2.119 -2.392 6.118) 6.902 1.265 ( -1.674 0.858 2.667) 3.264 1.294 ( -2.256 -0.530 1.862) 2.972 1.382 ( -5.556 4.744 7.660) 10.585 1.422 ( -6.266 1.224 2.932) 7.026 1.503 ( -2.193 -2.095 4.673) 5.571 1.686 ( -3.234 -0.586 -2.754) 4.288 1.745 ( -3.744 -1.120 5.176) 6.485 1.898 ( 0.167 -1.904 -1.192) 2.253 1.928 ( -2.991 1.272 -2.074) 3.856 2.021 ( 0.178 -2.965 -2.341) 3.782 2.214 ( 0.989 3.570 -3.703) 5.238 2.258 ( 8.105 -5.024 0.898) 9.578 3.022 ( 4.627 -0.218 -14.192) 14.928 3.170 ( -1.594 -0.425 5.452) 5.696 3.556 ( 4.502 1.605 -1.845) 5.124 4.090 ( -7.774 -2.500 1.223) 8.257 4.237 ( -1.126 1.651 0.221) 2.010 4.525 ( -0.893 2.247 -0.430) 2.455 4.703 ( 0.766 -0.578 -2.315) 2.506 ======================= Grid point 274 (87/180) ======================= q-point: (-0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 2.866 3.841 11.823) 12.757 0.490 ( -3.484 7.574 7.892) 11.480 0.943 ( -4.571 -0.555 6.236) 7.752 1.008 ( 1.846 -0.366 4.061) 4.476 1.069 ( -4.633 -1.972 14.506) 15.355 1.162 ( -4.296 2.307 7.844) 9.236 1.241 ( -0.758 0.839 3.963) 4.121 1.299 ( -5.946 2.108 2.153) 6.666 1.351 ( 1.032 0.672 4.416) 4.585 1.453 ( -3.152 -0.624 5.988) 6.796 1.620 ( -3.042 0.085 -2.539) 3.963 1.699 ( -1.340 -1.500 4.658) 5.074 1.838 ( -3.718 0.116 -2.407) 4.430 1.930 ( 0.451 -3.711 -1.085) 3.892 2.050 ( 0.839 -3.086 -2.531) 4.079 2.221 ( 1.117 3.341 -3.299) 4.826 2.519 ( 13.644 -9.978 3.161) 17.196 3.098 ( 3.032 0.908 -11.589) 12.014 3.172 ( 2.259 0.423 7.440) 7.787 3.636 ( 3.747 1.457 -1.814) 4.410 3.892 ( -13.496 -2.941 0.309) 13.816 4.192 ( -2.327 0.513 -1.896) 3.044 4.496 ( -0.228 5.708 -0.661) 5.751 4.723 ( 0.822 -0.159 -2.720) 2.846 ======================= Grid point 275 (88/180) ======================= q-point: (-0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -0.000 6.927 9.027) 11.378 0.528 ( -0.000 1.931 12.224) 12.376 0.855 ( -0.000 2.392 8.556) 8.884 0.994 ( -0.000 0.274 17.297) 17.299 1.078 ( 0.000 -4.754 4.817) 6.768 1.143 ( -0.000 1.113 3.013) 3.212 1.183 ( -0.000 3.682 4.536) 5.842 1.238 ( -0.000 0.779 7.632) 7.671 1.368 ( -0.000 0.297 -1.089) 1.129 1.411 ( 0.000 -0.319 10.621) 10.626 1.586 ( -0.000 0.232 -2.450) 2.461 1.695 ( 0.000 -1.214 4.281) 4.450 1.798 ( 0.000 -0.350 -3.106) 3.125 1.951 ( 0.000 -3.036 -0.755) 3.129 2.072 ( 0.000 -2.718 -2.510) 3.700 2.220 ( -0.000 2.768 -3.098) 4.154 2.757 ( 0.000 -12.775 -2.417) 13.002 3.123 ( -0.000 1.602 -10.113) 10.240 3.246 ( 0.000 -0.419 6.980) 6.993 3.675 ( 0.000 -0.020 4.312) 4.312 3.675 ( -0.000 1.616 -1.728) 2.366 4.163 ( -0.000 0.003 -3.229) 3.229 4.464 ( -0.000 5.972 0.302) 5.980 4.732 ( -0.000 0.025 -2.857) 2.857 ======================= Grid point 278 (89/180) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 6.509 -0.000 0.504) 6.528 0.870 ( 6.585 -0.000 0.828) 6.637 1.073 ( 3.787 -0.000 0.854) 3.882 1.148 ( -2.474 0.000 0.484) 2.520 1.233 ( 3.734 -0.000 7.658) 8.519 1.298 ( 0.856 -0.000 0.797) 1.170 1.310 ( -0.350 0.000 4.600) 4.613 1.509 ( 2.694 -0.000 -1.567) 3.117 1.561 ( -1.381 0.000 0.176) 1.392 1.636 ( -3.445 0.000 -2.686) 4.369 1.802 ( 1.545 -0.000 -0.994) 1.837 1.812 ( 1.391 -0.000 -0.278) 1.419 1.910 ( 1.182 -0.000 4.365) 4.522 1.927 ( 2.326 -0.000 1.247) 2.640 2.125 ( 1.392 -0.000 -1.438) 2.002 2.177 ( 5.726 -0.000 -15.459) 16.485 2.241 ( 1.499 -0.000 -2.601) 3.002 2.776 ( -8.230 0.000 -18.442) 20.196 3.309 ( 3.966 -0.000 2.056) 4.468 3.435 ( -0.978 0.000 -0.128) 0.987 4.179 ( -1.329 0.000 3.779) 4.006 4.219 ( 0.049 -0.000 2.787) 2.787 4.614 ( 1.402 -0.000 1.062) 1.759 4.713 ( 0.748 -0.000 -1.213) 1.425 ======================= Grid point 279 (90/180) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 4.689 0.212 0.302) 4.704 0.934 ( -1.431 0.136 1.358) 1.978 1.113 ( 0.530 -0.372 -3.100) 3.167 1.135 ( 1.773 0.068 0.230) 1.789 1.261 ( -2.172 0.127 4.843) 5.309 1.289 ( 1.614 0.358 5.443) 5.689 1.368 ( 3.241 -0.564 0.644) 3.352 1.486 ( -4.823 2.806 -2.904) 6.290 1.523 ( -2.469 -1.572 -1.557) 3.315 1.588 ( 1.303 -0.612 -4.072) 4.319 1.805 ( -0.094 1.894 1.710) 2.553 1.828 ( -0.053 -2.415 0.198) 2.423 1.947 ( 0.666 1.406 -0.842) 1.769 1.991 ( 4.186 -1.411 0.580) 4.456 2.155 ( 1.109 0.300 -0.180) 1.163 2.197 ( -2.189 0.392 -2.179) 3.114 2.374 ( 9.685 -0.550 -16.988) 19.563 2.602 ( -8.849 0.165 -17.284) 19.418 3.380 ( 2.981 0.065 0.623) 3.046 3.416 ( -1.321 -0.084 0.230) 1.343 4.160 ( -0.425 -0.124 3.946) 3.971 4.220 ( 0.269 -0.069 3.387) 3.399 4.621 ( -0.585 0.251 1.597) 1.720 4.727 ( 0.513 -0.028 -0.831) 0.977 ======================= Grid point 280 (91/180) ======================= q-point: (-0.64 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -6.192 0.032 2.944) 6.856 0.920 ( 1.753 -0.288 -0.390) 1.819 1.126 ( -2.457 -0.071 0.390) 2.489 1.145 ( 0.700 0.122 -2.509) 2.608 1.216 ( -2.288 -0.603 2.809) 3.673 1.303 ( 0.438 0.318 3.044) 3.092 1.387 ( -3.345 0.214 -1.322) 3.603 1.406 ( -0.545 -0.561 -0.924) 1.211 1.493 ( -0.386 -1.174 -1.195) 1.719 1.653 ( 4.612 0.922 -3.630) 5.942 1.801 ( 0.232 1.582 2.602) 3.054 1.835 ( -0.297 -1.893 1.284) 2.306 1.946 ( 0.020 0.752 -1.548) 1.721 2.041 ( -0.436 0.523 -2.560) 2.649 2.136 ( -2.994 -0.082 1.833) 3.511 2.150 ( -1.802 -1.071 -2.384) 3.175 2.435 ( -6.946 1.271 -12.977) 14.773 2.579 ( 9.863 -0.621 -19.354) 21.731 3.373 ( -3.118 -0.132 1.029) 3.286 3.424 ( 1.584 0.146 -0.238) 1.609 4.168 ( 1.186 0.049 3.563) 3.756 4.234 ( 1.122 0.387 3.374) 3.577 4.594 ( -1.970 -0.515 1.832) 2.739 4.729 ( -0.371 0.024 -0.809) 0.890 ======================= Grid point 281 (92/180) ======================= q-point: (-0.55 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -6.108 -0.503 3.616) 7.116 0.912 ( -2.369 0.795 -0.760) 2.612 1.049 ( -5.271 -0.507 1.280) 5.448 1.124 ( -2.147 -1.096 4.692) 5.275 1.180 ( -1.514 0.172 -0.548) 1.620 1.310 ( -0.284 -0.004 4.651) 4.660 1.328 ( -2.261 0.026 -1.131) 2.528 1.414 ( 1.024 -3.645 -3.303) 5.024 1.500 ( 0.095 -0.319 -0.979) 1.034 1.723 ( 1.156 1.568 -1.467) 2.438 1.780 ( -2.015 0.819 2.583) 3.377 1.831 ( -0.653 -0.640 2.488) 2.651 1.952 ( 0.936 0.425 -1.028) 1.454 1.977 ( -3.212 2.578 -0.953) 4.228 2.064 ( -4.221 -0.295 -1.257) 4.414 2.128 ( -1.697 -3.326 -3.726) 5.275 2.319 ( -3.761 2.245 -6.734) 8.033 2.764 ( 8.270 -0.377 -19.601) 21.277 3.297 ( -4.338 -0.323 2.379) 4.958 3.451 ( 1.584 0.434 -0.587) 1.744 4.198 ( 1.351 -0.154 2.825) 3.136 4.252 ( 1.074 1.899 3.022) 3.727 4.557 ( -2.008 -1.834 1.396) 3.057 4.713 ( -1.164 -0.051 -1.125) 1.620 ======================= Grid point 282 (93/180) ======================= q-point: (-0.45 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -4.729 1.167 4.442) 6.592 0.833 ( -4.437 4.726 1.658) 6.691 0.946 ( -4.428 -2.556 3.446) 6.166 1.082 ( -3.314 -3.258 7.136) 8.516 1.146 ( -2.148 -1.076 1.434) 2.798 1.285 ( -0.427 0.905 3.700) 3.833 1.314 ( -0.409 0.746 -1.258) 1.519 1.454 ( 0.323 -4.042 -0.012) 4.055 1.492 ( -1.140 -0.314 -0.746) 1.398 1.631 ( -8.172 2.432 4.717) 9.744 1.729 ( -2.711 -0.714 1.174) 3.040 1.808 ( -2.350 0.341 3.153) 3.948 1.915 ( -2.675 1.473 -3.824) 4.894 1.967 ( 0.319 0.119 -0.295) 0.450 2.021 ( -0.460 0.704 2.331) 2.478 2.112 ( -0.561 -4.981 -4.560) 6.776 2.262 ( -0.786 3.149 -4.418) 5.482 2.908 ( 6.148 -0.525 -17.783) 18.823 3.216 ( -3.696 -0.544 3.944) 5.432 3.495 ( 3.375 1.019 -1.136) 3.704 4.185 ( -3.509 -0.499 2.629) 4.412 4.264 ( 0.946 2.203 1.840) 3.023 4.540 ( -0.384 -1.267 0.211) 1.341 4.692 ( -0.704 -0.419 -1.677) 1.866 ======================= Grid point 283 (94/180) ======================= q-point: (-0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -1.546 4.054 7.554) 8.711 0.699 ( -5.245 7.928 4.245) 10.411 0.920 ( -0.385 -4.386 6.318) 7.701 1.023 ( -3.453 -2.247 6.716) 7.879 1.112 ( -1.939 -1.350 5.161) 5.676 1.279 ( -0.523 1.771 3.181) 3.678 1.291 ( -1.847 0.187 0.361) 1.891 1.420 ( -4.650 2.905 3.546) 6.529 1.436 ( -7.172 2.015 6.430) 9.841 1.479 ( -1.769 -2.881 3.416) 4.806 1.681 ( -2.844 -0.592 -1.780) 3.407 1.739 ( -3.721 -0.061 4.188) 5.603 1.876 ( -1.526 -2.841 -0.721) 3.304 1.939 ( -3.741 1.083 -2.287) 4.516 1.999 ( -0.095 -1.781 -0.595) 1.880 2.194 ( 5.010 -6.137 1.305) 8.029 2.258 ( 2.280 3.307 -3.217) 5.146 3.020 ( 4.972 -0.274 -14.747) 15.565 3.166 ( -1.288 -0.321 5.557) 5.714 3.572 ( 4.673 1.658 -1.831) 5.286 4.068 ( -8.642 -2.089 2.232) 9.167 4.250 ( -1.731 1.124 -0.007) 2.064 4.547 ( 1.066 2.386 -1.138) 2.851 4.697 ( 0.829 -0.728 -2.259) 2.514 ======================= Grid point 284 (95/180) ======================= q-point: (-0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 2.803 4.662 11.467) 12.692 0.574 ( -2.913 9.554 6.160) 11.735 0.928 ( -1.948 -2.731 8.428) 9.071 0.998 ( 0.730 -1.973 3.930) 4.457 1.064 ( -3.534 1.089 10.733) 11.352 1.184 ( -5.006 2.640 8.070) 9.857 1.255 ( -0.446 2.219 4.136) 4.714 1.319 ( -5.568 2.076 2.180) 6.330 1.359 ( 0.493 0.937 5.237) 5.343 1.445 ( -2.768 -1.187 4.823) 5.687 1.622 ( -2.762 0.184 -2.630) 3.819 1.686 ( -1.589 -1.174 4.366) 4.792 1.837 ( -3.977 -0.516 -2.202) 4.575 1.886 ( -0.770 -5.423 -0.416) 5.494 2.025 ( 1.098 -1.970 -1.393) 2.651 2.249 ( 1.006 2.149 -2.783) 3.657 2.418 ( 9.631 -11.119 4.508) 15.386 3.106 ( 3.554 0.733 -12.387) 12.907 3.176 ( 2.672 0.591 7.466) 7.951 3.651 ( 3.677 1.811 -1.634) 4.413 3.864 ( -12.638 -2.816 1.944) 13.093 4.196 ( -2.737 0.324 -2.060) 3.441 4.552 ( 1.174 6.017 -2.396) 6.582 4.720 ( 1.000 -0.313 -2.746) 2.940 ======================= Grid point 285 (96/180) ======================= q-point: (-0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.000 9.598 7.467) 12.160 0.554 ( -0.000 3.440 11.723) 12.217 0.883 ( -0.000 3.187 7.646) 8.284 1.002 ( -0.000 1.674 17.256) 17.337 1.031 ( 0.000 -5.376 5.225) 7.497 1.158 ( -0.000 2.161 2.781) 3.522 1.216 ( -0.000 3.309 4.512) 5.595 1.248 ( -0.000 1.544 7.556) 7.712 1.372 ( -0.000 0.517 -1.319) 1.417 1.407 ( 0.000 -0.647 10.142) 10.162 1.589 ( -0.000 0.429 -2.534) 2.570 1.680 ( 0.000 -1.689 4.242) 4.566 1.794 ( 0.000 -0.621 -3.085) 3.147 1.909 ( 0.000 -5.959 0.192) 5.962 2.047 ( 0.000 -2.389 -1.901) 3.053 2.247 ( -0.000 2.912 -2.877) 4.093 2.613 ( 0.000 -17.129 2.270) 17.279 3.138 ( -0.000 1.418 -10.634) 10.728 3.243 ( 0.000 -0.205 7.276) 7.279 3.675 ( 0.000 -0.034 4.308) 4.308 3.692 ( -0.000 1.841 -1.790) 2.568 4.163 ( -0.000 0.005 -3.223) 3.223 4.531 ( -0.000 7.779 -2.411) 8.144 4.732 ( 0.000 -0.008 -2.911) 2.911 ======================= Grid point 290 (97/180) ======================= q-point: (-0.73 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -6.495 0.000 3.227) 7.252 0.919 ( 1.894 -0.000 -0.549) 1.972 1.126 ( -2.682 0.000 0.297) 2.698 1.145 ( 0.942 -0.000 -2.024) 2.232 1.213 ( -1.991 0.000 2.245) 3.000 1.305 ( 0.188 -0.000 2.798) 2.804 1.389 ( -4.473 0.000 -0.772) 4.539 1.403 ( -0.341 0.000 -1.537) 1.575 1.488 ( 0.028 -0.000 -1.068) 1.068 1.657 ( 4.700 -0.000 -3.649) 5.950 1.815 ( 0.681 -0.000 2.575) 2.663 1.820 ( -0.552 0.000 1.824) 1.906 1.949 ( -0.235 0.000 -2.205) 2.217 2.044 ( 0.364 -0.000 -2.347) 2.375 2.135 ( -3.135 0.000 1.948) 3.691 2.145 ( -2.431 0.000 -2.468) 3.464 2.441 ( -6.954 0.000 -12.454) 14.264 2.575 ( 10.116 -0.000 -19.731) 22.173 3.372 ( -3.128 0.000 1.065) 3.305 3.425 ( 1.607 -0.000 -0.278) 1.631 4.168 ( 1.194 -0.000 3.552) 3.747 4.236 ( 1.331 -0.000 3.344) 3.599 4.592 ( -2.215 0.000 1.859) 2.892 4.729 ( -0.368 0.000 -0.809) 0.889 ======================= Grid point 292 (98/180) ======================= q-point: (-0.64 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -5.915 -0.174 4.227) 7.272 0.917 ( -1.873 0.226 -1.193) 2.233 1.047 ( -4.992 -0.133 1.545) 5.227 1.117 ( -3.123 -0.433 5.393) 6.247 1.182 ( -1.840 0.208 -1.824) 2.600 1.310 ( -0.504 0.000 4.818) 4.844 1.328 ( -0.810 0.081 -1.920) 2.085 1.389 ( -0.250 -1.511 -3.317) 3.653 1.498 ( 0.310 -0.126 -1.029) 1.082 1.733 ( 1.166 0.509 -1.879) 2.269 1.786 ( -2.726 0.284 3.133) 4.162 1.828 ( 0.187 -0.011 2.787) 2.793 1.951 ( 0.404 -0.231 -1.871) 1.928 2.000 ( -2.143 1.663 0.435) 2.747 2.062 ( -5.065 -0.129 -3.379) 6.090 2.103 ( -1.608 -1.654 -1.843) 2.953 2.334 ( -3.664 0.801 -6.421) 7.436 2.761 ( 8.289 -0.147 -19.868) 21.528 3.295 ( -4.396 -0.119 2.434) 5.026 3.453 ( 1.689 0.160 -0.666) 1.823 4.197 ( 1.186 -0.081 2.889) 3.124 4.265 ( 1.543 0.788 2.793) 3.287 4.545 ( -2.239 -0.739 1.507) 2.798 4.712 ( -1.227 -0.023 -1.120) 1.661 ======================= Grid point 293 (99/180) ======================= q-point: (-0.55 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -3.506 0.979 5.039) 6.217 0.867 ( -2.244 2.204 1.080) 3.325 0.932 ( -5.978 -0.244 3.373) 6.868 1.052 ( -3.883 -2.915 6.935) 8.466 1.138 ( -2.327 -0.601 1.113) 2.649 1.290 ( -0.485 0.253 5.300) 5.328 1.331 ( 0.404 2.785 -2.792) 3.964 1.412 ( 0.570 -4.730 -1.145) 4.900 1.492 ( -1.173 0.053 -0.832) 1.439 1.649 ( -7.860 1.401 3.822) 8.852 1.722 ( -3.204 -0.652 2.275) 3.983 1.816 ( -1.566 1.138 3.040) 3.604 1.925 ( -4.507 0.680 -4.709) 6.553 1.969 ( -0.138 0.358 1.616) 1.661 2.027 ( 0.610 0.418 3.891) 3.960 2.071 ( -1.314 -3.507 -5.723) 6.840 2.285 ( -0.701 1.717 -4.129) 4.527 2.904 ( 6.124 -0.324 -18.109) 19.120 3.212 ( -3.688 -0.305 4.006) 5.454 3.503 ( 3.580 0.591 -1.217) 3.827 4.181 ( -3.685 -0.294 2.796) 4.635 4.281 ( 0.354 1.369 1.730) 2.235 4.530 ( 0.666 -0.844 0.090) 1.079 4.689 ( -0.876 -0.246 -1.633) 1.869 ======================= Grid point 294 (100/180) ======================= q-point: (-0.45 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -0.393 3.978 7.279) 8.304 0.770 ( -4.700 6.872 3.495) 9.029 0.880 ( -0.567 -3.812 6.734) 7.759 0.996 ( -3.031 -3.539 7.522) 8.848 1.104 ( -1.360 -0.439 3.977) 4.226 1.284 ( -0.836 -0.131 3.777) 3.871 1.311 ( -0.738 3.510 -0.259) 3.596 1.431 ( -1.916 -1.238 0.714) 2.391 1.441 ( -3.542 -1.202 2.723) 4.627 1.470 ( -7.042 1.924 7.341) 10.353 1.675 ( -2.283 -0.652 -0.455) 2.417 1.747 ( -4.030 1.785 3.103) 5.390 1.846 ( -3.536 -3.535 0.143) 5.002 1.948 ( -4.204 0.929 -2.619) 5.040 1.988 ( 0.047 -0.859 1.273) 1.536 2.139 ( 4.006 -5.194 1.593) 6.750 2.285 ( 1.515 2.376 -3.097) 4.187 3.018 ( 5.263 -0.234 -15.256) 16.140 3.164 ( -0.994 -0.169 5.635) 5.724 3.586 ( 4.830 1.225 -1.831) 5.309 4.052 ( -9.287 -1.364 2.931) 9.834 4.258 ( -2.248 0.609 -0.050) 2.329 4.567 ( 2.662 1.825 -1.704) 3.649 4.690 ( 0.806 -0.667 -2.179) 2.417 ======================= Grid point 295 (101/180) ======================= q-point: (-0.36 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 2.486 5.095 10.613) 12.032 0.657 ( -2.816 8.021 5.383) 10.062 0.898 ( 0.079 -3.250 9.250) 9.805 0.973 ( -1.016 -3.433 6.847) 7.726 1.083 ( -0.758 2.416 5.595) 6.141 1.210 ( -4.654 2.845 7.320) 9.129 1.281 ( -0.509 3.259 4.490) 5.571 1.336 ( -5.368 1.551 2.067) 5.957 1.368 ( -0.297 1.070 6.737) 6.828 1.431 ( -2.129 -1.762 2.901) 4.007 1.624 ( -2.510 0.271 -2.586) 3.614 1.680 ( -1.957 -0.073 3.701) 4.187 1.815 ( -2.044 -5.353 1.200) 5.854 1.847 ( -4.392 -1.717 -2.924) 5.549 2.016 ( 1.543 0.041 0.777) 1.728 2.243 ( 2.388 -4.764 0.819) 5.391 2.338 ( 4.708 -4.231 1.847) 6.594 3.111 ( 3.869 0.432 -13.091) 13.658 3.182 ( 2.995 0.557 7.475) 8.072 3.668 ( 3.630 1.654 -1.546) 4.278 3.841 ( -11.941 -2.093 3.081) 12.509 4.198 ( -2.971 0.160 -2.099) 3.642 4.602 ( 2.127 4.677 -3.379) 6.149 4.717 ( 1.199 -0.499 -2.772) 3.061 ======================= Grid point 296 (102/180) ======================= q-point: (-0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -0.000 8.664 6.810) 11.020 0.590 ( -0.000 4.189 11.095) 11.859 0.902 ( -0.000 0.649 8.668) 8.692 0.981 ( 0.000 -5.252 5.648) 7.713 1.034 ( -0.000 5.492 13.874) 14.922 1.180 ( -0.000 2.482 2.971) 3.871 1.243 ( -0.000 2.456 4.616) 5.228 1.266 ( -0.000 2.371 7.517) 7.882 1.377 ( -0.000 0.588 -1.616) 1.719 1.399 ( 0.000 -0.985 9.427) 9.479 1.594 ( -0.000 0.533 -2.657) 2.709 1.667 ( 0.000 -1.176 3.779) 3.958 1.787 ( 0.000 -0.731 -3.053) 3.139 1.844 ( 0.000 -7.882 1.245) 7.980 2.033 ( 0.000 -0.530 -0.294) 0.606 2.267 ( -0.000 0.833 -2.063) 2.225 2.460 ( 0.000 -14.814 4.827) 15.580 3.149 ( -0.000 0.970 -11.530) 11.571 3.242 ( -0.000 0.055 7.779) 7.779 3.674 ( 0.000 -0.037 4.303) 4.303 3.708 ( -0.000 1.469 -1.585) 2.161 4.164 ( -0.000 0.006 -3.216) 3.216 4.598 ( -0.000 6.478 -4.069) 7.650 4.731 ( 0.000 -0.144 -3.001) 3.004 ======================= Grid point 303 (103/180) ======================= q-point: (-0.64 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -2.977 0.000 5.276) 6.057 0.875 ( -1.701 0.000 1.172) 2.065 0.935 ( -6.096 0.000 2.717) 6.674 1.036 ( -4.397 0.000 7.140) 8.385 1.135 ( -2.345 0.000 1.004) 2.551 1.291 ( -0.560 0.000 5.408) 5.437 1.355 ( 1.902 -0.000 -3.064) 3.606 1.378 ( -0.579 0.000 -1.318) 1.439 1.492 ( -1.108 0.000 -0.869) 1.408 1.655 ( -7.784 0.000 3.397) 8.493 1.719 ( -3.318 0.000 2.678) 4.264 1.823 ( -1.137 0.000 3.038) 3.244 1.928 ( -5.031 0.000 -5.040) 7.122 1.971 ( -1.217 0.000 3.200) 3.423 2.028 ( 2.343 -0.000 3.904) 4.553 2.054 ( -2.316 0.000 -6.471) 6.873 2.293 ( -0.676 0.000 -3.989) 4.045 2.903 ( 6.115 -0.000 -18.238) 19.236 3.210 ( -3.682 0.000 4.029) 5.457 3.506 ( 3.654 -0.000 -1.246) 3.861 4.180 ( -3.740 0.000 2.860) 4.709 4.287 ( 0.072 -0.000 1.697) 1.698 4.526 ( 1.105 -0.000 0.038) 1.106 4.688 ( -0.941 0.000 -1.616) 1.870 ======================= Grid point 305 (104/180) ======================= q-point: (-0.55 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.441 1.832 6.990) 7.240 0.813 ( -5.461 1.654 3.940) 6.934 0.862 ( 0.489 0.437 5.423) 5.462 0.964 ( -3.170 -2.724 8.594) 9.557 1.102 ( -0.936 -0.072 3.384) 3.512 1.283 ( -0.719 -0.070 3.389) 3.465 1.347 ( -0.828 3.788 1.346) 4.105 1.399 ( 0.272 -3.873 -0.407) 3.904 1.442 ( -3.834 0.244 0.527) 3.877 1.486 ( -7.686 0.944 7.703) 10.922 1.670 ( -1.902 -0.296 0.328) 1.953 1.770 ( -3.866 2.792 2.785) 5.522 1.812 ( -5.385 -3.334 0.637) 6.366 1.956 ( -5.220 0.600 -3.543) 6.337 1.982 ( 1.378 -0.397 3.536) 3.815 2.104 ( 2.827 -2.066 1.165) 3.690 2.300 ( 1.306 0.836 -2.908) 3.295 3.016 ( 5.427 -0.092 -15.560) 16.479 3.163 ( -0.816 -0.049 5.675) 5.733 3.593 ( 4.928 0.450 -1.840) 5.279 4.043 ( -9.623 -0.474 3.294) 10.182 4.261 ( -2.530 0.190 -0.044) 2.538 4.579 ( 3.575 0.696 -2.021) 4.165 4.685 ( 0.717 -0.287 -2.106) 2.244 ======================= Grid point 306 (105/180) ======================= q-point: (-0.45 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 2.262 4.009 9.787) 10.816 0.713 ( -3.178 3.654 5.375) 7.234 0.879 ( 0.936 -0.313 9.115) 9.169 0.937 ( -1.450 -4.109 8.610) 9.650 1.102 ( 1.259 1.566 3.063) 3.663 1.234 ( -3.572 1.987 5.860) 7.144 1.312 ( -0.826 3.172 5.563) 6.457 1.347 ( -5.274 0.852 1.709) 5.609 1.377 ( -1.037 0.503 8.638) 8.714 1.414 ( -1.434 -1.597 0.149) 2.152 1.626 ( -2.348 0.218 -2.435) 3.390 1.686 ( -2.394 1.564 3.117) 4.230 1.758 ( -2.461 -5.967 2.575) 6.950 1.840 ( -5.351 -0.333 -3.643) 6.482 2.026 ( 2.422 2.017 3.786) 4.927 2.177 ( 2.475 -7.403 3.552) 8.576 2.329 ( 1.809 0.377 -1.415) 2.328 3.114 ( 4.047 0.188 -13.571) 14.163 3.186 ( 3.175 0.332 7.479) 8.131 3.680 ( 3.670 1.018 -1.587) 4.126 3.826 ( -11.580 -1.145 3.795) 12.239 4.199 ( -3.081 0.063 -2.103) 3.731 4.637 ( 2.632 2.677 -3.792) 5.336 4.712 ( 1.329 -0.550 -2.765) 3.117 ======================= Grid point 307 (106/180) ======================= q-point: (-0.36 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -0.000 3.793 10.532) 11.194 0.652 ( -0.000 5.993 6.753) 9.028 0.897 ( 0.000 -1.322 11.294) 11.371 0.936 ( 0.000 -4.280 6.021) 7.387 1.095 ( -0.000 6.943 7.195) 9.999 1.200 ( -0.000 1.684 4.661) 4.955 1.261 ( -0.000 1.482 4.749) 4.975 1.291 ( -0.000 2.814 7.609) 8.113 1.382 ( -0.000 0.467 -1.874) 1.932 1.389 ( 0.000 -1.218 8.552) 8.638 1.599 ( -0.000 0.463 -2.785) 2.823 1.661 ( -0.000 0.083 2.978) 2.979 1.769 ( 0.000 -7.896 2.186) 8.193 1.781 ( 0.000 -0.605 -3.014) 3.074 2.040 ( -0.000 2.141 2.250) 3.105 2.243 ( 0.000 -6.970 2.179) 7.303 2.364 ( 0.000 -4.861 1.708) 5.153 3.156 ( -0.000 0.563 -12.489) 12.502 3.243 ( -0.000 0.130 8.343) 8.344 3.674 ( 0.000 -0.028 4.298) 4.298 3.719 ( -0.000 0.940 -1.351) 1.646 4.164 ( -0.000 0.004 -3.210) 3.210 4.648 ( -0.000 4.216 -4.618) 6.253 4.729 ( 0.000 -0.366 -3.104) 3.126 ======================= Grid point 316 (107/180) ======================= q-point: (-0.55 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 2.210 -0.000 9.351) 9.608 0.727 ( -3.132 0.000 5.883) 6.665 0.889 ( 1.315 -0.000 6.423) 6.556 0.907 ( -1.928 0.000 11.452) 11.613 1.110 ( 1.944 -0.000 2.347) 3.047 1.243 ( -2.905 0.000 5.033) 5.811 1.330 ( -1.327 0.000 7.223) 7.344 1.352 ( -5.175 0.000 1.141) 5.300 1.376 ( -0.864 0.000 8.395) 8.439 1.407 ( -1.332 0.000 -0.784) 1.546 1.627 ( -2.283 0.000 -2.350) 3.277 1.708 ( -2.773 0.000 3.516) 4.477 1.715 ( -2.723 0.000 2.350) 3.597 1.839 ( -5.510 0.000 -3.748) 6.664 2.041 ( 3.535 -0.000 6.263) 7.192 2.136 ( 1.113 -0.000 2.466) 2.706 2.331 ( 1.399 -0.000 -1.821) 2.297 3.115 ( 4.107 -0.000 -13.742) 14.343 3.188 ( 3.231 -0.000 7.481) 8.148 3.685 ( 3.721 -0.000 -1.641) 4.066 3.821 ( -11.495 0.000 4.060) 12.191 4.199 ( -3.112 0.000 -2.102) 3.755 4.650 ( 2.814 -0.000 -3.922) 4.827 4.708 ( 1.344 -0.000 -2.732) 3.044 ======================= Grid point 318 (108/180) ======================= q-point: (-0.45 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.000 1.666 10.201) 10.337 0.691 ( -0.000 2.255 6.557) 6.934 0.885 ( 0.000 -0.872 12.959) 12.989 0.907 ( 0.000 -1.802 6.243) 6.498 1.147 ( -0.000 3.301 0.078) 3.302 1.210 ( -0.000 0.505 8.565) 8.580 1.270 ( -0.000 0.492 4.833) 4.858 1.313 ( -0.000 1.506 8.174) 8.311 1.379 ( 0.000 -0.757 7.649) 7.687 1.385 ( -0.000 0.178 -2.018) 2.026 1.602 ( -0.000 0.187 -2.869) 2.875 1.670 ( -0.000 2.162 2.611) 3.390 1.706 ( 0.000 -5.465 2.546) 6.029 1.777 ( 0.000 -0.238 -2.986) 2.995 2.071 ( -0.000 4.080 5.483) 6.834 2.166 ( 0.000 -7.242 3.812) 8.184 2.348 ( 0.000 -0.253 -1.066) 1.095 3.159 ( -0.000 0.185 -13.094) 13.095 3.244 ( -0.000 0.061 8.710) 8.710 3.674 ( 0.000 -0.011 4.295) 4.295 3.725 ( -0.000 0.325 -1.215) 1.258 4.164 ( -0.000 0.002 -3.206) 3.206 4.676 ( -0.000 1.600 -4.714) 4.978 4.725 ( 0.000 -0.330 -3.154) 3.171 ======================= Grid point 381 (109/180) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 0.000 9.067) 9.067 0.744 ( 0.000 0.000 10.754) 10.754 0.902 ( 0.000 0.000 -0.794) 0.794 1.150 ( 0.000 0.000 -1.117) 1.117 1.195 ( 0.000 0.000 6.055) 6.055 1.256 ( 0.000 0.000 5.210) 5.210 1.342 ( 0.000 0.000 3.198) 3.198 1.386 ( 0.000 0.000 3.693) 3.693 1.398 ( 0.000 0.000 18.412) 18.412 1.528 ( 0.000 0.000 -3.352) 3.352 1.620 ( 0.000 0.000 10.039) 10.039 1.725 ( 0.000 0.000 -4.638) 4.638 1.814 ( 0.000 0.000 6.803) 6.803 1.935 ( 0.000 0.000 -0.970) 0.970 2.062 ( 0.000 0.000 -0.911) 0.911 2.128 ( 0.000 0.000 -4.566) 4.566 2.716 ( 0.000 0.000 -5.475) 5.475 2.900 ( 0.000 0.000 -11.614) 11.614 3.374 ( 0.000 0.000 5.955) 5.955 3.625 ( 0.000 0.000 -2.745) 2.745 3.771 ( 0.000 0.000 5.482) 5.482 4.088 ( 0.000 0.000 -4.517) 4.517 4.477 ( 0.000 0.000 2.562) 2.562 4.669 ( 0.000 0.000 -3.515) 3.515 ======================= Grid point 382 (110/180) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 2.998 -2.009 8.388) 9.131 0.690 ( -3.483 -0.931 10.397) 11.004 0.974 ( 4.783 -0.945 -0.070) 4.876 1.153 ( -1.212 1.200 7.571) 7.760 1.189 ( 3.151 -0.022 -1.352) 3.428 1.301 ( -2.477 0.002 4.133) 4.818 1.323 ( 3.918 -0.515 3.576) 5.329 1.409 ( 1.208 1.084 4.492) 4.776 1.449 ( 4.463 -1.445 15.038) 15.753 1.559 ( 2.597 0.168 -3.443) 4.316 1.624 ( 0.719 0.586 8.703) 8.752 1.763 ( 3.516 0.071 -4.865) 6.003 1.832 ( 2.040 0.207 6.993) 7.288 1.914 ( -2.140 0.195 -1.323) 2.524 2.047 ( -0.647 2.642 -0.982) 2.892 2.115 ( -1.844 -2.998 -4.456) 5.678 2.571 ( -12.117 2.467 -2.306) 12.579 2.857 ( -4.226 0.194 -12.688) 13.375 3.303 ( -3.575 -0.194 6.383) 7.319 3.577 ( -4.104 -0.554 -3.096) 5.170 3.931 ( 11.371 0.299 2.516) 11.650 4.143 ( 4.444 -0.070 -3.057) 5.395 4.486 ( 0.759 -1.018 2.113) 2.466 4.664 ( -0.435 0.030 -3.347) 3.376 ======================= Grid point 383 (111/180) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.074 -1.188 9.668) 9.741 0.701 ( 4.999 -3.206 6.681) 8.939 1.047 ( 1.610 -0.296 2.190) 2.734 1.168 ( 3.612 1.628 7.076) 8.110 1.232 ( -0.775 -0.323 -2.167) 2.324 1.283 ( 2.494 1.305 4.939) 5.685 1.372 ( 0.410 2.624 2.720) 3.802 1.426 ( 1.242 -2.094 3.526) 4.285 1.570 ( 6.214 -1.646 10.145) 12.011 1.581 ( -0.196 2.626 -1.731) 3.151 1.671 ( 4.086 -0.140 3.346) 5.283 1.824 ( -0.948 -0.930 -5.275) 5.439 1.863 ( -0.070 0.281 -3.165) 3.178 1.892 ( 3.722 0.950 7.095) 8.068 2.022 ( -0.325 2.407 -1.629) 2.925 2.095 ( -1.559 -4.865 -3.112) 5.982 2.308 ( -11.244 2.255 0.272) 11.471 2.740 ( -7.003 0.804 -15.009) 16.582 3.272 ( 0.095 0.098 4.814) 4.816 3.499 ( -3.631 -0.833 -2.793) 4.656 4.125 ( 7.715 0.497 1.339) 7.846 4.225 ( 2.952 -0.598 -0.581) 3.068 4.519 ( 2.198 -0.576 1.109) 2.529 4.656 ( -0.166 0.248 -2.862) 2.877 ======================= Grid point 384 (112/180) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 3.446 -0.893 6.949) 7.808 0.820 ( 4.972 -2.837 4.206) 7.104 1.062 ( 0.915 1.164 3.873) 4.146 1.191 ( -1.301 0.883 0.516) 1.655 1.269 ( 4.786 0.789 4.512) 6.625 1.305 ( -0.313 4.969 3.045) 5.836 1.362 ( 1.051 0.096 2.030) 2.288 1.465 ( 0.978 -2.301 1.132) 2.744 1.527 ( -3.108 5.470 -3.511) 7.205 1.678 ( 1.403 -1.822 2.322) 3.268 1.751 ( 1.213 -0.599 0.959) 1.658 1.768 ( 1.020 -2.264 -2.831) 3.765 1.881 ( -0.021 0.548 -6.043) 6.067 1.938 ( 1.123 1.474 3.682) 4.122 2.042 ( 2.537 -1.332 -2.505) 3.806 2.071 ( -4.062 -3.370 2.231) 5.730 2.183 ( 0.663 0.562 -0.704) 1.118 2.585 ( -7.723 1.154 -16.441) 18.201 3.295 ( 2.110 0.306 3.263) 3.898 3.448 ( -1.819 -0.609 -1.833) 2.654 4.230 ( 3.051 0.093 1.446) 3.377 4.257 ( 0.061 -1.204 1.159) 1.673 4.572 ( 2.898 0.870 0.693) 3.104 4.662 ( 0.997 0.300 -2.098) 2.342 ======================= Grid point 385 (113/180) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 5.041 -0.525 4.062) 6.495 0.907 ( 2.761 -1.072 1.431) 3.290 1.085 ( 1.616 1.113 1.580) 2.519 1.151 ( -2.146 1.001 0.602) 2.443 1.277 ( 0.551 2.867 1.754) 3.406 1.338 ( 1.298 2.022 1.877) 3.049 1.390 ( 1.220 -0.728 3.039) 3.355 1.420 ( -3.238 5.903 -4.878) 8.314 1.486 ( 0.345 -0.318 -0.859) 0.979 1.626 ( -5.191 -3.600 -4.199) 7.585 1.785 ( 2.037 -0.149 -2.293) 3.071 1.841 ( 2.592 -2.521 -0.896) 3.725 1.883 ( 0.920 0.869 -3.382) 3.611 1.947 ( 0.212 -0.386 -0.866) 0.972 2.015 ( -1.059 -1.347 -2.188) 2.779 2.107 ( 1.792 -1.007 -0.077) 2.057 2.231 ( 2.427 -0.854 0.187) 2.579 2.435 ( -6.255 1.351 -13.897) 15.300 3.344 ( 2.727 0.206 1.913) 3.337 3.428 ( -0.538 -0.244 -0.906) 1.081 4.241 ( -1.078 -0.284 1.837) 2.149 4.267 ( 0.284 -0.907 1.439) 1.725 4.617 ( 2.104 1.501 1.124) 2.818 4.689 ( 1.486 0.002 -1.335) 1.998 ======================= Grid point 386 (114/180) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 4.210 -1.004 2.483) 4.989 0.939 ( 0.073 0.982 0.258) 1.017 1.067 ( -1.987 0.345 -2.091) 2.905 1.145 ( 1.083 -0.006 1.312) 1.701 1.284 ( -2.208 1.733 -4.824) 5.581 1.294 ( 0.879 1.748 0.202) 1.967 1.377 ( -0.412 0.453 0.393) 0.727 1.426 ( 1.189 0.097 1.279) 1.749 1.493 ( 0.688 0.936 -1.546) 1.934 1.546 ( -3.427 -2.049 -3.659) 5.416 1.822 ( 1.486 -0.167 0.197) 1.508 1.853 ( -1.190 -0.415 -0.163) 1.271 1.942 ( 3.585 -1.722 -5.728) 6.973 1.950 ( 0.532 0.872 -1.770) 2.044 2.024 ( 0.458 -0.733 -8.537) 8.581 2.100 ( -2.407 -0.080 -6.219) 6.669 2.264 ( 0.523 -0.484 0.341) 0.790 2.350 ( -1.530 0.801 -4.676) 4.985 3.392 ( 1.967 0.036 0.780) 2.116 3.419 ( -0.739 -0.039 -0.111) 0.749 4.222 ( -0.638 -0.090 2.261) 2.351 4.269 ( -0.157 -0.367 1.170) 1.236 4.642 ( 0.793 0.679 1.595) 1.906 4.711 ( 0.604 -0.047 -0.939) 1.117 ======================= Grid point 393 (115/180) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -0.034 0.000 9.722) 9.722 0.685 ( 5.369 -0.000 6.924) 8.761 1.045 ( 2.003 -0.000 1.962) 2.804 1.176 ( 3.746 -0.000 7.214) 8.129 1.230 ( -1.212 0.000 -1.814) 2.181 1.289 ( 2.965 -0.000 4.041) 5.012 1.391 ( 2.732 -0.000 2.393) 3.632 1.410 ( -1.327 0.000 4.435) 4.629 1.562 ( 6.595 -0.000 10.578) 12.465 1.594 ( 0.133 -0.000 -1.930) 1.934 1.671 ( 3.934 -0.000 3.872) 5.520 1.820 ( -1.244 0.000 -5.672) 5.807 1.865 ( -0.203 0.000 -3.710) 3.716 1.896 ( 4.124 -0.000 7.305) 8.388 2.051 ( 0.370 -0.000 1.074) 1.136 2.055 ( -2.939 0.000 -5.998) 6.679 2.319 ( -11.630 0.000 0.002) 11.630 2.743 ( -6.968 0.000 -14.828) 16.383 3.272 ( 0.171 -0.000 4.745) 4.748 3.495 ( -3.548 0.000 -2.719) 4.470 4.128 ( 7.617 -0.000 1.116) 7.698 4.222 ( 2.824 -0.000 -0.417) 2.855 4.517 ( 2.558 -0.000 1.257) 2.850 4.657 ( -0.133 0.000 -2.884) 2.887 ======================= Grid point 394 (116/180) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 3.717 -0.252 6.762) 7.720 0.801 ( 5.525 -1.078 4.492) 7.202 1.070 ( 1.104 0.381 3.528) 3.716 1.196 ( -1.557 0.266 0.141) 1.586 1.275 ( 5.211 0.348 5.564) 7.631 1.343 ( 0.917 2.292 2.969) 3.861 1.366 ( -0.969 0.940 2.792) 3.102 1.441 ( 1.679 -2.212 0.563) 2.833 1.568 ( -2.162 2.782 -2.773) 4.484 1.662 ( -0.079 -1.260 1.386) 1.874 1.745 ( -0.957 -0.648 -2.626) 2.869 1.754 ( 3.587 -0.553 1.238) 3.835 1.885 ( 0.592 0.303 -7.280) 7.310 1.951 ( -0.251 1.017 2.994) 3.172 2.032 ( 2.451 -0.674 -3.294) 4.161 2.044 ( -2.817 -1.838 4.067) 5.277 2.188 ( -0.247 0.410 -0.970) 1.082 2.592 ( -7.772 0.401 -16.186) 17.960 3.297 ( 2.097 0.120 3.171) 3.803 3.444 ( -1.646 -0.232 -1.712) 2.386 4.230 ( 2.958 0.042 1.314) 3.237 4.249 ( 0.036 -0.446 1.403) 1.473 4.578 ( 3.247 0.310 0.653) 3.326 4.664 ( 0.896 0.113 -2.101) 2.287 ======================= Grid point 395 (117/180) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 5.082 -0.231 3.715) 6.299 0.898 ( 3.551 -0.812 1.412) 3.907 1.095 ( 1.700 0.890 1.896) 2.697 1.158 ( -2.489 0.558 0.806) 2.675 1.303 ( -0.585 2.505 1.553) 3.004 1.351 ( 1.585 0.719 3.451) 3.865 1.383 ( 0.769 -0.684 2.778) 2.962 1.476 ( -2.605 5.406 -4.445) 7.468 1.482 ( -0.055 0.322 -1.609) 1.642 1.586 ( -5.288 -4.868 -4.525) 8.493 1.787 ( 2.495 0.533 -2.821) 3.803 1.820 ( 2.296 -1.776 0.084) 2.904 1.895 ( 0.831 1.704 -5.229) 5.562 1.937 ( -0.164 -1.637 -3.479) 3.848 2.003 ( -0.641 -0.987 1.160) 1.653 2.099 ( 2.203 -0.626 -0.513) 2.347 2.227 ( 2.404 -0.151 0.514) 2.463 2.445 ( -6.328 0.684 -13.786) 15.185 3.346 ( 2.642 0.123 1.845) 3.225 3.426 ( -0.411 -0.148 -0.800) 0.912 4.238 ( -1.019 -0.338 2.059) 2.322 4.261 ( 0.464 -0.335 1.426) 1.537 4.629 ( 1.974 0.899 0.932) 2.360 4.688 ( 1.388 -0.043 -1.291) 1.896 ======================= Grid point 396 (118/180) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 3.943 -0.642 2.012) 4.473 0.946 ( 0.813 0.518 -0.107) 0.970 1.074 ( -2.785 1.040 -0.673) 3.048 1.143 ( 0.975 -0.553 1.011) 1.510 1.293 ( -1.259 0.474 -2.121) 2.512 1.317 ( -2.360 2.611 -2.028) 4.062 1.381 ( -0.711 0.341 0.494) 0.930 1.428 ( 0.556 0.462 0.698) 1.005 1.497 ( -0.339 -0.291 -1.945) 1.995 1.527 ( -1.369 -1.734 -3.155) 3.852 1.825 ( 1.615 0.647 0.534) 1.820 1.850 ( -0.288 -0.257 -0.182) 0.427 1.924 ( 1.488 -1.715 -3.435) 4.118 1.957 ( 2.714 0.357 -7.769) 8.237 2.019 ( 1.096 -0.243 -6.127) 6.229 2.098 ( -2.315 -0.333 -5.607) 6.075 2.261 ( 0.884 -0.167 1.089) 1.412 2.356 ( -2.112 0.506 -5.428) 5.846 3.393 ( 1.923 0.027 0.730) 2.057 3.418 ( -0.695 -0.033 -0.043) 0.697 4.221 ( -0.540 -0.099 2.318) 2.382 4.266 ( 0.123 -0.241 1.225) 1.255 4.647 ( 0.242 0.527 1.475) 1.585 4.711 ( 0.645 -0.054 -0.907) 1.114 ======================= Grid point 397 (119/180) ======================= q-point: (-0.55 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -4.544 1.132 3.001) 5.562 0.929 ( 0.369 -1.044 0.319) 1.153 1.066 ( 1.870 0.098 -3.054) 3.582 1.143 ( -1.245 -0.407 1.350) 1.880 1.266 ( 0.415 -1.677 -3.879) 4.246 1.283 ( -1.751 -0.970 -0.834) 2.168 1.372 ( -0.450 -0.449 -0.037) 0.637 1.425 ( -1.181 -0.207 1.603) 2.001 1.483 ( -0.415 -1.086 -1.029) 1.552 1.562 ( 3.994 1.324 -4.245) 5.977 1.829 ( -1.045 1.348 0.119) 1.710 1.857 ( 1.500 0.474 0.433) 1.632 1.930 ( -1.425 -2.333 -4.069) 4.902 1.967 ( -2.078 2.563 -1.883) 3.799 2.030 ( -0.606 0.462 -8.274) 8.309 2.099 ( 3.089 -0.241 -7.825) 8.416 2.270 ( 0.230 0.826 -0.991) 1.311 2.342 ( 0.616 -0.980 -3.476) 3.664 3.392 ( -2.016 -0.034 0.836) 2.183 3.419 ( 0.790 0.031 -0.185) 0.811 4.222 ( 0.700 0.047 2.222) 2.330 4.273 ( 0.529 0.385 1.079) 1.262 4.635 ( -1.385 -0.619 1.733) 2.304 4.711 ( -0.591 0.025 -0.973) 1.139 ======================= Grid point 398 (120/180) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -4.910 0.786 4.542) 6.735 0.915 ( -1.658 0.510 1.426) 2.245 1.078 ( -2.075 -0.289 1.254) 2.442 1.140 ( 1.912 -1.168 0.251) 2.254 1.252 ( -1.339 -2.468 1.667) 3.265 1.314 ( -0.293 -3.103 -0.147) 3.120 1.371 ( 1.152 -4.347 -3.622) 5.774 1.396 ( -1.180 0.464 2.983) 3.241 1.487 ( 0.241 -0.126 -0.588) 0.648 1.652 ( 5.053 2.051 -4.362) 6.983 1.792 ( -1.843 1.304 -1.877) 2.936 1.864 ( -2.129 2.376 -0.815) 3.292 1.878 ( -1.448 -0.175 -2.469) 2.868 1.947 ( -0.312 0.006 0.365) 0.481 2.023 ( 1.006 0.141 -3.269) 3.423 2.117 ( -1.365 1.044 0.474) 1.783 2.244 ( -2.172 2.052 -0.569) 3.042 2.420 ( 6.207 -1.930 -14.216) 15.632 3.342 ( -2.832 -0.223 1.999) 3.474 3.431 ( 0.701 0.259 -1.042) 1.282 4.242 ( 0.962 0.062 1.747) 1.996 4.278 ( 0.179 1.338 1.223) 1.821 4.602 ( -2.330 -1.677 1.418) 3.202 4.688 ( -1.600 -0.069 -1.399) 2.126 ======================= Grid point 399 (121/180) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -2.877 1.620 7.214) 7.934 0.851 ( -3.979 3.685 3.783) 6.612 1.048 ( -0.778 -1.891 4.467) 4.913 1.179 ( 0.555 -1.603 1.327) 2.154 1.259 ( -1.588 -3.302 -0.944) 3.784 1.264 ( -1.763 -1.677 6.304) 6.757 1.361 ( -1.534 -0.103 1.981) 2.508 1.468 ( 2.947 -4.932 -2.634) 6.320 1.485 ( -0.025 -0.035 -0.039) 0.058 1.693 ( -1.997 1.365 2.296) 3.335 1.758 ( -1.919 0.966 1.969) 2.914 1.791 ( -0.619 2.519 -3.702) 4.520 1.876 ( 0.360 -0.444 -3.508) 3.555 1.928 ( -1.965 -0.637 2.279) 3.076 2.053 ( -2.252 0.734 -1.794) 2.971 2.096 ( 4.876 1.716 2.446) 5.719 2.185 ( -2.016 1.528 -0.956) 2.705 2.572 ( 7.667 -1.728 -16.982) 18.713 3.292 ( -2.116 -0.373 3.409) 4.030 3.454 ( 2.100 0.774 -2.029) 3.021 4.229 ( -3.123 -0.109 1.626) 3.523 4.270 ( -0.232 1.637 0.785) 1.830 4.562 ( -2.288 -1.240 0.776) 2.716 4.659 ( -1.155 -0.389 -2.094) 2.423 ======================= Grid point 400 (122/180) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.555 2.660 9.596) 9.973 0.740 ( -4.431 5.111 5.972) 9.023 1.049 ( -0.487 0.108 3.105) 3.145 1.147 ( -3.522 -2.605 6.630) 7.946 1.234 ( -0.728 -0.086 -3.212) 3.295 1.268 ( -0.388 -1.718 6.848) 7.070 1.351 ( -0.028 -1.820 1.952) 2.669 1.443 ( -2.338 1.509 3.097) 4.163 1.546 ( 1.232 -4.628 -1.822) 5.124 1.590 ( -5.933 2.431 9.337) 11.326 1.674 ( -4.331 0.502 2.506) 5.029 1.834 ( 0.446 1.024 -4.381) 4.521 1.860 ( -0.636 -0.451 -1.601) 1.781 1.880 ( -2.733 -1.501 6.004) 6.765 2.010 ( -0.819 -0.370 -0.553) 1.055 2.141 ( 1.206 4.880 -3.295) 6.011 2.278 ( 10.191 -3.968 0.930) 10.976 2.729 ( 7.107 -1.436 -15.532) 17.141 3.271 ( 0.119 -0.099 4.983) 4.986 3.509 ( 3.843 1.344 -2.977) 5.043 4.119 ( -7.975 -0.703 1.844) 8.215 4.231 ( -3.290 0.833 -0.913) 3.515 4.527 ( -1.249 0.979 0.711) 1.739 4.653 ( 0.245 -0.444 -2.796) 2.842 ======================= Grid point 401 (123/180) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -2.603 5.315 7.559) 9.600 0.706 ( 3.352 2.553 10.342) 11.167 0.990 ( -4.204 2.500 -0.081) 4.892 1.134 ( 0.261 -2.847 6.707) 7.291 1.188 ( -2.130 -0.284 0.755) 2.278 1.302 ( 2.161 0.229 3.565) 4.175 1.330 ( -2.578 0.806 3.336) 4.293 1.398 ( -1.581 -1.037 6.019) 6.309 1.467 ( -4.702 2.305 12.475) 13.530 1.555 ( -1.863 -0.876 -3.207) 3.811 1.614 ( -1.105 -1.216 7.862) 8.031 1.762 ( -3.695 -0.205 -4.573) 5.883 1.828 ( -2.069 -0.741 7.203) 7.531 1.909 ( 1.860 -0.878 -0.069) 2.057 2.020 ( 0.686 -2.463 -1.401) 2.915 2.151 ( 1.502 4.172 -3.777) 5.825 2.528 ( 10.792 -6.585 -1.275) 12.706 2.853 ( 4.498 -0.651 -13.260) 14.017 3.307 ( 3.775 0.532 6.441) 7.485 3.587 ( 4.143 1.418 -3.208) 5.429 3.926 ( -11.180 -0.728 2.922) 11.578 4.144 ( -4.574 0.152 -3.137) 5.548 4.504 ( -0.310 2.608 1.310) 2.935 4.664 ( 0.517 -0.104 -3.293) 3.335 ======================= Grid point 402 (124/180) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -0.000 4.247 8.565) 9.561 0.750 ( -0.000 1.341 10.633) 10.717 0.916 ( -0.000 2.812 -0.736) 2.907 1.138 ( 0.000 -2.405 0.002) 2.405 1.193 ( 0.000 -0.365 6.106) 6.117 1.266 ( -0.000 1.925 4.166) 4.589 1.344 ( -0.000 0.338 3.213) 3.231 1.386 ( 0.000 -0.018 3.697) 3.697 1.400 ( -0.000 0.533 17.999) 18.007 1.529 ( -0.000 0.087 -3.390) 3.391 1.615 ( 0.000 -1.193 9.781) 9.853 1.724 ( 0.000 -0.301 -4.620) 4.630 1.811 ( 0.000 -0.565 7.044) 7.066 1.932 ( 0.000 -0.806 -0.259) 0.846 2.042 ( 0.000 -3.055 -1.473) 3.392 2.149 ( -0.000 3.645 -3.936) 5.365 2.685 ( 0.000 -6.564 -4.437) 7.923 2.901 ( -0.000 0.039 -12.046) 12.046 3.375 ( -0.000 0.393 6.070) 6.083 3.631 ( -0.000 1.132 -2.857) 3.073 3.771 ( 0.000 -0.021 5.483) 5.483 4.088 ( -0.000 0.007 -4.517) 4.517 4.489 ( -0.000 2.415 2.002) 3.137 4.669 ( -0.000 0.035 -3.489) 3.489 ======================= Grid point 405 (125/180) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 5.084 -0.000 3.585) 6.221 0.894 ( 3.828 -0.000 1.414) 4.080 1.100 ( 1.841 -0.000 1.999) 2.718 1.161 ( -2.653 0.000 0.879) 2.795 1.317 ( -1.464 0.000 1.061) 1.808 1.353 ( 2.026 -0.000 4.733) 5.148 1.380 ( 0.396 -0.000 2.455) 2.487 1.478 ( 1.997 -0.000 -1.573) 2.542 1.527 ( -2.612 0.000 -2.954) 3.943 1.543 ( -6.998 0.000 -6.378) 9.468 1.791 ( 3.061 -0.000 -3.769) 4.855 1.811 ( 1.779 -0.000 1.328) 2.220 1.909 ( 1.586 -0.000 -7.463) 7.630 1.923 ( -1.143 0.000 -3.498) 3.680 1.998 ( -0.397 0.000 3.012) 3.038 2.096 ( 2.380 -0.000 -0.691) 2.478 2.226 ( 2.349 -0.000 0.565) 2.416 2.448 ( -6.358 0.000 -13.760) 15.158 3.346 ( 2.610 -0.000 1.819) 3.181 3.426 ( -0.363 0.000 -0.760) 0.842 4.236 ( -0.938 0.000 2.170) 2.364 4.260 ( 0.467 -0.000 1.388) 1.464 4.633 ( 1.935 -0.000 0.868) 2.121 4.688 ( 1.346 -0.000 -1.277) 1.855 ======================= Grid point 406 (126/180) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.798 -0.216 1.735) 4.181 0.949 ( 1.367 0.122 -0.460) 1.447 1.083 ( -3.804 0.770 0.667) 3.938 1.137 ( 1.205 -0.513 0.443) 1.383 1.295 ( -1.420 0.125 -1.392) 1.993 1.335 ( -3.537 1.184 -2.146) 4.304 1.382 ( -0.136 -0.020 0.797) 0.809 1.436 ( -1.232 0.897 -0.653) 1.658 1.486 ( -1.719 -1.359 -1.697) 2.771 1.519 ( 1.376 -0.218 -2.987) 3.295 1.832 ( 1.236 0.595 0.739) 1.558 1.847 ( 1.228 -0.233 0.490) 1.342 1.913 ( -0.228 -0.691 -3.862) 3.930 1.958 ( 3.992 -0.066 -10.908) 11.616 2.019 ( 1.715 0.056 -3.536) 3.930 2.095 ( -2.497 -0.194 -5.583) 6.119 2.260 ( 1.009 -0.026 1.400) 1.726 2.359 ( -2.394 0.171 -5.788) 6.266 3.393 ( 1.897 0.010 0.701) 2.023 3.418 ( -0.670 -0.013 -0.001) 0.670 4.220 ( -0.460 -0.044 2.360) 2.405 4.265 ( 0.259 -0.081 1.245) 1.275 4.651 ( -0.095 0.200 1.408) 1.425 4.710 ( 0.687 -0.025 -0.888) 1.123 ======================= Grid point 407 (127/180) ======================= q-point: (-0.64 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -4.866 0.806 3.370) 5.974 0.921 ( 0.513 -0.647 0.233) 0.858 1.068 ( 2.139 0.113 -3.541) 4.138 1.139 ( -1.234 -0.480 1.211) 1.794 1.257 ( -1.369 -0.300 -2.140) 2.558 1.274 ( -2.172 -0.910 -2.524) 3.452 1.368 ( -1.400 -0.381 -0.602) 1.571 1.423 ( -0.909 -0.196 1.968) 2.177 1.474 ( 0.070 -0.673 -0.645) 0.935 1.571 ( 4.127 0.574 -4.699) 6.280 1.846 ( -0.469 2.165 0.706) 2.325 1.861 ( 1.498 0.361 0.956) 1.813 1.907 ( -0.962 -2.688 -3.763) 4.724 1.990 ( -1.636 2.251 -2.225) 3.563 2.031 ( -1.846 -0.400 -6.371) 6.645 2.097 ( 4.209 -0.248 -10.065) 10.912 2.278 ( 1.386 0.797 -2.795) 3.220 2.333 ( -0.598 -0.824 -1.880) 2.138 3.392 ( -2.055 -0.021 0.880) 2.236 3.419 ( 0.829 0.016 -0.241) 0.864 4.223 ( 0.722 0.014 2.206) 2.321 4.276 ( 0.856 0.249 0.988) 1.331 4.631 ( -1.841 -0.367 1.845) 2.632 4.712 ( -0.597 0.008 -0.999) 1.164 ======================= Grid point 408 (128/180) ======================= q-point: (-0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -4.698 0.796 5.070) 6.958 0.916 ( -0.797 -0.267 1.199) 1.464 1.081 ( -2.877 0.772 1.527) 3.348 1.130 ( 2.011 -0.894 -0.414) 2.240 1.233 ( -1.611 -1.665 1.441) 2.729 1.283 ( 0.860 -3.387 -2.670) 4.398 1.341 ( -0.836 -2.286 -1.642) 2.936 1.399 ( -1.341 0.242 3.073) 3.362 1.485 ( 0.549 -0.272 -0.426) 0.746 1.665 ( 4.806 0.825 -4.722) 6.787 1.807 ( -1.986 1.837 -1.485) 3.086 1.876 ( -0.022 0.270 0.751) 0.799 1.883 ( -2.741 0.949 -2.915) 4.113 1.951 ( -0.760 0.889 -0.102) 1.174 2.017 ( 0.615 -1.307 -2.534) 2.917 2.125 ( -1.038 0.771 0.950) 1.604 2.267 ( -1.868 2.689 -1.010) 3.427 2.401 ( 6.359 -2.173 -15.050) 16.482 3.340 ( -2.925 -0.169 2.076) 3.591 3.433 ( 0.849 0.194 -1.164) 1.454 4.242 ( 0.852 -0.030 1.779) 1.973 4.290 ( 0.660 1.192 0.861) 1.612 4.588 ( -2.603 -1.347 1.740) 3.408 4.688 ( -1.695 -0.083 -1.458) 2.237 ======================= Grid point 409 (129/180) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -2.111 2.021 7.512) 8.061 0.884 ( -2.537 3.280 3.306) 5.303 1.029 ( -1.207 -2.017 5.012) 5.535 1.162 ( -0.397 -1.970 2.282) 3.040 1.225 ( -0.250 -2.987 1.827) 3.510 1.262 ( -1.675 0.348 1.231) 2.108 1.358 ( -1.442 -0.589 1.303) 2.031 1.415 ( 3.190 -5.408 -2.989) 6.954 1.490 ( -0.334 0.433 1.024) 1.161 1.703 ( -1.894 0.710 1.667) 2.621 1.768 ( -2.285 0.897 2.468) 3.481 1.813 ( -1.194 2.118 -3.609) 4.351 1.874 ( 0.138 0.103 -1.238) 1.250 1.926 ( -1.991 0.073 0.003) 1.992 2.052 ( -0.630 -0.868 -0.786) 1.329 2.104 ( 2.603 0.306 3.779) 4.599 2.210 ( -1.820 3.399 -1.383) 4.096 2.554 ( 7.670 -1.900 -17.832) 19.504 3.288 ( -2.103 -0.319 3.555) 4.142 3.461 ( 2.392 0.692 -2.232) 3.344 4.228 ( -3.153 -0.095 1.808) 3.636 4.285 ( -0.548 1.600 0.377) 1.733 4.551 ( -1.572 -1.265 0.901) 2.210 4.655 ( -1.311 -0.354 -2.095) 2.497 ======================= Grid point 410 (130/180) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 1.228 3.579 9.509) 10.234 0.792 ( -3.829 5.726 5.016) 8.522 1.045 ( 0.970 -1.134 5.289) 5.496 1.124 ( -3.518 -2.229 5.394) 6.815 1.223 ( -2.015 -2.274 0.266) 3.050 1.261 ( 1.738 0.489 3.293) 3.756 1.339 ( -0.339 -0.745 1.400) 1.622 1.455 ( -2.542 0.961 2.981) 4.034 1.499 ( 1.861 -5.515 -2.033) 6.166 1.612 ( -5.455 2.089 8.196) 10.064 1.680 ( -4.564 0.818 1.954) 5.032 1.839 ( 0.599 -0.297 -1.047) 1.242 1.855 ( -3.129 -0.470 -1.625) 3.557 1.870 ( -1.353 -0.352 3.981) 4.219 2.014 ( -1.108 1.346 0.887) 1.956 2.181 ( 0.614 3.302 -2.798) 4.371 2.239 ( 8.618 -4.019 1.262) 9.592 2.714 ( 7.280 -1.705 -16.318) 17.949 3.270 ( 0.411 -0.030 5.175) 5.192 3.522 ( 4.098 1.397 -3.194) 5.381 4.113 ( -8.296 -0.642 2.375) 8.653 4.239 ( -3.730 0.734 -1.191) 3.984 4.536 ( -0.033 1.089 0.187) 1.106 4.648 ( 0.318 -0.532 -2.694) 2.765 ======================= Grid point 411 (131/180) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -2.093 6.905 6.377) 9.630 0.735 ( 3.112 3.577 10.179) 11.229 1.017 ( -3.220 3.119 0.075) 4.484 1.103 ( -0.241 -3.616 6.767) 7.676 1.184 ( -1.370 -0.523 2.535) 2.929 1.305 ( 1.979 0.157 2.809) 3.440 1.336 ( -0.535 0.579 3.040) 3.141 1.394 ( -2.336 0.167 5.556) 6.029 1.488 ( -5.002 1.950 10.506) 11.798 1.541 ( -0.305 -2.070 -1.504) 2.577 1.605 ( -2.284 -0.705 5.619) 6.107 1.760 ( -3.963 -0.305 -4.358) 5.898 1.819 ( -2.028 -1.232 7.501) 7.867 1.894 ( 0.918 -2.400 1.891) 3.190 2.011 ( 0.855 0.765 -0.740) 1.365 2.188 ( 1.257 3.684 -3.377) 5.154 2.455 ( 8.798 -8.909 0.090) 12.522 2.845 ( 4.812 -1.045 -14.178) 15.009 3.313 ( 4.059 0.713 6.531) 7.723 3.602 ( 4.182 1.738 -3.364) 5.642 3.918 ( -10.900 -0.832 3.489) 11.475 4.145 ( -4.740 0.144 -3.222) 5.733 4.531 ( 0.354 3.207 0.140) 3.230 4.662 ( 0.652 -0.213 -3.189) 3.262 ======================= Grid point 412 (132/180) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.000 6.854 7.448) 10.122 0.768 ( -0.000 2.438 10.296) 10.580 0.951 ( -0.000 4.595 -0.559) 4.629 1.110 ( 0.000 -3.458 1.785) 3.891 1.188 ( 0.000 -0.633 6.247) 6.279 1.288 ( -0.000 2.534 2.585) 3.620 1.348 ( -0.000 0.660 3.280) 3.346 1.385 ( 0.000 -0.101 3.724) 3.726 1.408 ( -0.000 1.156 16.672) 16.712 1.530 ( -0.000 0.161 -3.496) 3.500 1.599 ( 0.000 -2.245 9.084) 9.357 1.720 ( 0.000 -0.527 -4.567) 4.597 1.803 ( 0.000 -1.102 7.608) 7.687 1.917 ( 0.000 -2.766 1.537) 3.164 2.022 ( 0.000 -0.748 -1.404) 1.591 2.185 ( -0.000 3.785 -3.485) 5.145 2.603 ( 0.000 -10.524 -2.197) 10.751 2.899 ( 0.000 -0.480 -12.992) 13.001 3.381 ( -0.000 0.679 6.331) 6.368 3.644 ( -0.000 1.688 -3.052) 3.488 3.771 ( 0.000 -0.036 5.486) 5.486 4.088 ( -0.000 0.013 -4.518) 4.518 4.518 ( -0.000 3.769 0.680) 3.830 4.670 ( -0.000 0.010 -3.414) 3.414 ======================= Grid point 417 (133/180) ======================= q-point: (-0.73 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -5.085 0.000 3.469) 6.156 0.918 ( 0.618 -0.000 0.221) 0.657 1.068 ( 2.277 -0.000 -3.681) 4.329 1.136 ( -1.175 0.000 1.101) 1.610 1.257 ( -2.083 0.000 -0.181) 2.091 1.269 ( -2.327 0.000 -4.453) 5.024 1.366 ( -1.814 0.000 -0.836) 1.998 1.422 ( -0.738 0.000 2.143) 2.266 1.471 ( 0.281 -0.000 -0.507) 0.580 1.573 ( 4.144 -0.000 -4.864) 6.390 1.859 ( 0.751 -0.000 2.008) 2.144 1.865 ( 0.846 -0.000 2.180) 2.338 1.888 ( -1.207 0.000 -5.882) 6.004 2.003 ( -0.650 0.000 -2.208) 2.301 2.027 ( -3.265 0.000 -5.360) 6.276 2.095 ( 4.800 -0.000 -11.191) 12.177 2.282 ( 2.169 -0.000 -3.924) 4.484 2.328 ( -1.387 0.000 -0.851) 1.627 3.392 ( -2.070 0.000 0.897) 2.256 3.419 ( 0.844 -0.000 -0.262) 0.884 4.223 ( 0.726 -0.000 2.203) 2.319 4.277 ( 0.986 -0.000 0.950) 1.369 4.629 ( -2.013 0.000 1.888) 2.760 4.712 ( -0.601 0.000 -1.009) 1.174 ======================= Grid point 419 (134/180) ======================= q-point: (-0.64 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -4.511 0.357 5.478) 7.105 0.913 ( -0.514 -0.267 0.857) 1.034 1.088 ( -3.513 0.549 2.548) 4.374 1.125 ( 2.383 -0.261 -1.412) 2.782 1.223 ( -1.481 -0.551 1.318) 2.058 1.258 ( 0.862 -1.591 -4.076) 4.460 1.327 ( -1.584 -0.704 -0.629) 1.844 1.400 ( -1.389 0.073 3.104) 3.401 1.483 ( 0.683 -0.124 -0.340) 0.773 1.669 ( 4.640 0.198 -4.945) 6.784 1.821 ( -2.518 0.907 -1.249) 2.954 1.880 ( -0.417 0.534 -0.329) 0.753 1.885 ( -0.838 -0.428 -0.740) 1.196 1.963 ( -1.960 1.323 -1.851) 3.003 2.002 ( 0.683 -1.391 -1.068) 1.882 2.130 ( -0.858 0.283 1.191) 1.495 2.288 ( -2.103 1.496 -0.156) 2.586 2.383 ( 6.920 -1.230 -16.661) 18.083 3.339 ( -2.979 -0.063 2.120) 3.657 3.434 ( 0.937 0.072 -1.236) 1.552 4.242 ( 0.804 -0.020 1.820) 1.990 4.298 ( 0.963 0.480 0.592) 1.228 4.579 ( -2.803 -0.524 1.964) 3.462 4.687 ( -1.749 -0.036 -1.493) 2.300 ======================= Grid point 420 (135/180) ======================= q-point: (-0.55 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -1.390 1.558 7.832) 8.105 0.907 ( -0.732 1.525 2.854) 3.318 1.015 ( -2.457 -0.920 5.159) 5.788 1.145 ( -0.971 -1.468 3.150) 3.608 1.205 ( -0.704 -1.426 2.940) 3.342 1.270 ( 0.080 1.338 -2.031) 2.433 1.344 ( 0.798 -2.722 -2.083) 3.519 1.379 ( 0.356 -1.901 1.035) 2.194 1.492 ( -0.074 0.142 1.104) 1.116 1.707 ( -1.658 0.293 1.184) 2.058 1.773 ( -2.609 0.312 2.793) 3.835 1.829 ( -1.694 1.302 -3.475) 4.079 1.878 ( -0.271 0.533 -0.455) 0.752 1.927 ( -1.882 0.183 -1.630) 2.497 2.040 ( 1.107 -1.364 1.271) 2.169 2.106 ( 0.188 0.267 3.795) 3.809 2.239 ( -1.437 2.471 -1.001) 3.029 2.539 ( 7.763 -1.344 -18.821) 20.403 3.286 ( -2.080 -0.180 3.659) 4.212 3.467 ( 2.606 0.404 -2.380) 3.553 4.227 ( -3.161 -0.055 1.944) 3.711 4.298 ( -0.884 1.013 0.046) 1.345 4.540 ( -0.966 -0.826 1.031) 1.637 4.652 ( -1.418 -0.209 -2.099) 2.542 ======================= Grid point 421 (136/180) ======================= q-point: (-0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 1.793 3.376 9.434) 10.179 0.842 ( -3.324 4.795 3.989) 7.067 1.028 ( 1.685 -2.361 7.719) 8.246 1.109 ( -2.896 -1.137 4.292) 5.301 1.201 ( -1.073 -2.197 3.492) 4.263 1.270 ( 0.791 1.123 -1.067) 1.740 1.338 ( 0.036 0.791 1.277) 1.502 1.442 ( 1.838 -5.244 -0.552) 5.584 1.466 ( -2.066 0.214 1.571) 2.604 1.627 ( -5.009 1.172 7.176) 8.830 1.688 ( -4.774 0.835 1.709) 5.139 1.833 ( 0.104 -0.640 2.807) 2.881 1.851 ( -3.564 -0.629 -4.795) 6.007 1.871 ( -1.961 0.418 4.283) 4.729 2.034 ( -0.047 2.753 2.225) 3.540 2.174 ( 3.694 -4.319 1.415) 5.857 2.232 ( 2.948 2.133 -2.153) 4.228 2.699 ( 7.496 -1.428 -17.182) 18.800 3.270 ( 0.688 0.020 5.329) 5.373 3.534 ( 4.316 1.029 -3.377) 5.576 4.108 ( -8.571 -0.433 2.788) 9.023 4.245 ( -4.129 0.473 -1.352) 4.370 4.546 ( 1.077 0.861 -0.303) 1.412 4.643 ( 0.335 -0.454 -2.577) 2.638 ======================= Grid point 422 (137/180) ======================= q-point: (-0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.808 6.407 5.354) 8.543 0.770 ( 2.874 3.781 9.861) 10.945 1.044 ( -1.968 2.384 0.667) 3.162 1.070 ( -0.533 -3.433 7.183) 7.979 1.179 ( -0.816 -0.398 4.007) 4.109 1.302 ( 1.923 -0.786 1.801) 2.750 1.346 ( 1.026 1.747 2.377) 3.123 1.399 ( -2.872 0.810 4.733) 5.595 1.492 ( -1.841 -2.005 4.205) 5.009 1.528 ( -1.979 0.313 4.994) 5.381 1.601 ( -3.427 -0.198 3.107) 4.631 1.757 ( -4.206 -0.308 -4.506) 6.172 1.808 ( -1.965 -1.008 7.887) 8.191 1.867 ( -0.463 -3.324 3.878) 5.129 2.035 ( 1.397 4.207 0.754) 4.497 2.215 ( 1.182 1.985 -2.561) 3.449 2.370 ( 6.598 -8.992 0.820) 11.183 2.835 ( 5.068 -1.096 -15.173) 16.034 3.319 ( 4.312 0.661 6.625) 7.932 3.617 ( 4.200 1.510 -3.506) 5.675 3.911 ( -10.641 -0.680 3.996) 11.387 4.146 ( -4.872 0.095 -3.275) 5.871 4.560 ( 0.980 2.840 -0.944) 3.150 4.660 ( 0.787 -0.335 -3.042) 3.160 ======================= Grid point 423 (138/180) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -0.000 7.200 6.388) 9.626 0.794 ( -0.000 3.046 9.810) 10.272 0.996 ( -0.000 4.775 -0.210) 4.780 1.076 ( 0.000 -3.679 3.262) 4.917 1.182 ( 0.000 -0.698 6.400) 6.438 1.311 ( -0.000 2.442 1.349) 2.790 1.356 ( -0.000 0.873 3.440) 3.549 1.384 ( 0.000 -0.278 3.841) 3.851 1.422 ( -0.000 1.940 14.296) 14.427 1.532 ( -0.000 0.200 -3.653) 3.658 1.574 ( 0.000 -3.024 8.184) 8.725 1.714 ( 0.000 -0.606 -4.488) 4.529 1.792 ( 0.000 -1.270 8.191) 8.289 1.881 ( 0.000 -4.603 3.434) 5.743 2.033 ( -0.000 3.165 -0.108) 3.167 2.216 ( -0.000 2.940 -3.014) 4.211 2.498 ( 0.000 -11.864 -0.095) 11.865 2.893 ( 0.000 -0.844 -14.070) 14.095 3.387 ( -0.000 0.746 6.607) 6.649 3.660 ( -0.000 1.622 -3.165) 3.556 3.770 ( 0.000 -0.039 5.490) 5.490 4.088 ( -0.000 0.014 -4.518) 4.518 4.554 ( -0.000 3.805 -0.730) 3.874 4.669 ( 0.000 -0.107 -3.299) 3.300 ======================= Grid point 430 (139/180) ======================= q-point: (-0.64 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -1.074 0.000 8.002) 8.074 0.913 ( 0.179 -0.000 2.680) 2.686 1.011 ( -3.222 0.000 5.047) 5.988 1.138 ( -1.156 0.000 3.609) 3.790 1.198 ( -0.928 0.000 3.460) 3.582 1.280 ( 1.091 -0.000 -4.346) 4.481 1.325 ( 1.688 -0.000 -2.392) 2.927 1.373 ( -1.087 0.000 2.591) 2.810 1.493 ( 0.029 -0.000 1.134) 1.134 1.709 ( -1.558 0.000 1.021) 1.863 1.774 ( -2.753 0.000 2.927) 4.018 1.835 ( -1.790 0.000 -3.434) 3.872 1.881 ( -0.549 0.000 -0.453) 0.712 1.928 ( -1.876 0.000 -2.252) 2.931 2.033 ( 1.706 -0.000 2.366) 2.917 2.108 ( -0.531 0.000 3.662) 3.700 2.251 ( -1.372 0.000 -0.665) 1.525 2.532 ( 7.834 -0.000 -19.321) 20.849 3.285 ( -2.069 0.000 3.696) 4.236 3.468 ( 2.685 -0.000 -2.435) 3.624 4.227 ( -3.161 0.000 1.994) 3.738 4.303 ( -1.034 0.000 -0.086) 1.038 4.536 ( -0.721 0.000 1.090) 1.307 4.651 ( -1.456 0.000 -2.101) 2.556 ======================= Grid point 432 (140/180) ======================= q-point: (-0.55 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.126 1.496 9.394) 9.747 0.874 ( -3.104 1.963 3.204) 4.874 1.009 ( 1.832 -1.250 8.570) 8.852 1.101 ( -2.204 -0.473 4.665) 5.181 1.187 ( -0.548 -0.807 4.513) 4.617 1.278 ( -0.561 0.452 -3.110) 3.193 1.356 ( 1.293 3.059 0.632) 3.381 1.394 ( 2.152 -4.864 -0.560) 5.348 1.469 ( -2.350 0.225 2.299) 3.295 1.634 ( -4.752 0.336 6.613) 8.150 1.694 ( -4.837 0.359 1.688) 5.136 1.830 ( -0.014 0.043 3.582) 3.582 1.844 ( -3.623 -0.572 -5.269) 6.420 1.875 ( -2.973 0.215 4.430) 5.340 2.061 ( 1.995 2.681 3.499) 4.839 2.134 ( 2.527 -3.485 1.703) 4.630 2.249 ( 1.404 1.058 -2.405) 2.979 2.689 ( 7.661 -0.567 -17.786) 19.375 3.270 ( 0.854 0.016 5.412) 5.479 3.540 ( 4.440 0.377 -3.480) 5.654 4.105 ( -8.726 -0.152 3.011) 9.232 4.247 ( -4.362 0.161 -1.419) 4.590 4.551 ( 1.750 0.331 -0.603) 1.880 4.640 ( 0.306 -0.184 -2.491) 2.516 ======================= Grid point 433 (141/180) ======================= q-point: (-0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 2.556 2.764 9.421) 10.145 0.809 ( -1.658 3.812 4.834) 6.376 1.039 ( -0.100 -2.294 6.683) 7.067 1.063 ( -1.480 1.065 2.431) 3.040 1.177 ( -0.461 -0.097 5.173) 5.195 1.293 ( 2.238 -0.886 0.503) 2.458 1.368 ( 1.163 2.902 1.195) 3.347 1.406 ( -2.865 0.452 4.385) 5.257 1.461 ( 1.462 -3.737 1.542) 4.299 1.539 ( -3.887 1.239 7.784) 8.789 1.600 ( -4.168 -0.147 1.363) 4.388 1.754 ( -4.307 -0.208 -4.914) 6.538 1.803 ( -1.992 0.223 8.141) 8.384 1.837 ( -1.595 -3.005 5.889) 6.801 2.086 ( 2.151 6.586 2.137) 7.251 2.212 ( 2.091 -3.606 0.155) 4.172 2.303 ( 3.721 -4.303 -0.966) 5.770 2.826 ( 5.245 -0.703 -15.956) 16.811 3.324 ( 4.474 0.394 6.695) 8.062 3.628 ( 4.203 0.867 -3.606) 5.606 3.906 ( -10.468 -0.377 4.336) 11.337 4.147 ( -4.948 0.045 -3.300) 5.948 4.582 ( 1.425 1.721 -1.701) 2.808 4.656 ( 0.861 -0.329 -2.875) 3.019 ======================= Grid point 434 (142/180) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.000 5.416 5.746) 7.897 0.822 ( -0.000 2.833 9.287) 9.709 1.035 ( -0.000 3.417 0.405) 3.441 1.044 ( 0.000 -3.135 4.367) 5.376 1.176 ( 0.000 -0.500 6.382) 6.402 1.332 ( -0.000 1.965 0.274) 1.984 1.364 ( -0.000 0.779 3.615) 3.698 1.380 ( 0.000 -0.498 4.235) 4.264 1.444 ( -0.000 2.835 11.209) 11.562 1.533 ( -0.000 0.173 -3.817) 3.821 1.544 ( 0.000 -3.492 7.418) 8.199 1.709 ( 0.000 -0.489 -4.403) 4.430 1.782 ( 0.000 -0.613 8.572) 8.594 1.838 ( 0.000 -4.509 5.547) 7.149 2.077 ( -0.000 6.221 1.386) 6.374 2.235 ( -0.000 0.706 -1.937) 2.062 2.392 ( 0.000 -10.466 0.752) 10.493 2.885 ( 0.000 -0.764 -15.024) 15.043 3.394 ( -0.000 0.569 6.821) 6.845 3.673 ( -0.000 1.132 -3.191) 3.386 3.770 ( 0.000 -0.030 5.493) 5.493 4.088 ( -0.000 0.010 -4.519) 4.519 4.586 ( -0.000 2.837 -1.808) 3.364 4.667 ( 0.000 -0.260 -3.147) 3.158 ======================= Grid point 443 (143/180) ======================= q-point: (-0.55 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.633 -0.000 9.155) 9.526 0.827 ( -1.850 0.000 4.789) 5.134 1.028 ( -0.189 0.000 6.852) 6.854 1.068 ( -0.999 0.000 2.852) 3.022 1.176 ( -0.349 0.000 5.657) 5.668 1.289 ( 2.406 -0.000 -0.178) 2.413 1.389 ( 0.250 -0.000 -0.572) 0.624 1.406 ( -2.103 0.000 4.949) 5.378 1.438 ( 2.293 -0.000 2.039) 3.068 1.545 ( -3.944 0.000 7.993) 8.913 1.599 ( -4.503 0.000 0.602) 4.543 1.753 ( -4.293 0.000 -5.086) 6.656 1.811 ( -1.604 0.000 7.619) 7.786 1.816 ( -2.487 0.000 7.364) 7.773 2.146 ( 4.017 -0.000 4.336) 5.910 2.161 ( 1.438 -0.000 0.413) 1.497 2.288 ( 2.070 -0.000 -2.584) 3.311 2.823 ( 5.311 -0.000 -16.257) 17.102 3.326 ( 4.528 -0.000 6.721) 8.104 3.632 ( 4.203 -0.000 -3.644) 5.563 3.904 ( -10.409 0.000 4.455) 11.322 4.147 ( -4.972 0.000 -3.307) 5.972 4.590 ( 1.597 -0.000 -1.987) 2.550 4.654 ( 0.871 -0.000 -2.784) 2.917 ======================= Grid point 445 (144/180) ======================= q-point: (-0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.000 2.018 5.503) 5.862 0.842 ( -0.000 1.272 8.907) 8.998 1.022 ( 0.000 -1.357 5.013) 5.194 1.056 ( -0.000 1.193 1.067) 1.601 1.173 ( 0.000 -0.160 6.165) 6.167 1.346 ( -0.000 0.924 -1.033) 1.386 1.369 ( -0.000 0.312 3.638) 3.652 1.375 ( 0.000 -0.406 5.222) 5.238 1.474 ( -0.000 3.339 8.670) 9.291 1.511 ( 0.000 -3.517 7.186) 8.001 1.535 ( -0.000 0.070 -3.926) 3.926 1.706 ( 0.000 -0.189 -4.345) 4.349 1.783 ( -0.000 0.976 8.489) 8.545 1.802 ( 0.000 -3.007 7.504) 8.084 2.145 ( -0.000 7.926 1.975) 8.169 2.216 ( 0.000 -5.549 1.358) 5.713 2.322 ( 0.000 -3.566 -1.246) 3.777 2.880 ( 0.000 -0.304 -15.593) 15.596 3.397 ( -0.000 0.211 6.936) 6.939 3.680 ( -0.000 0.403 -3.186) 3.211 3.770 ( 0.000 -0.011 5.495) 5.495 4.088 ( -0.000 0.004 -4.519) 4.519 4.604 ( -0.000 1.102 -2.413) 2.653 4.665 ( 0.000 -0.190 -2.996) 3.002 ======================= Grid point 508 (145/180) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.000 0.000 7.267) 7.267 0.845 ( 0.000 0.000 -4.750) 4.750 0.932 ( 0.000 0.000 8.654) 8.654 1.075 ( 0.000 0.000 -5.977) 5.977 1.305 ( 0.000 0.000 4.722) 4.722 1.355 ( 0.000 0.000 4.913) 4.913 1.362 ( 0.000 0.000 -1.027) 1.027 1.440 ( 0.000 0.000 -3.050) 3.050 1.506 ( 0.000 0.000 5.126) 5.126 1.622 ( 0.000 0.000 -5.904) 5.904 1.687 ( 0.000 0.000 10.142) 10.142 1.760 ( 0.000 0.000 2.782) 2.782 1.928 ( 0.000 0.000 4.416) 4.416 1.951 ( 0.000 0.000 2.129) 2.129 2.031 ( 0.000 0.000 -2.108) 2.108 2.045 ( 0.000 0.000 -3.389) 3.389 2.638 ( 0.000 0.000 -1.518) 1.518 2.699 ( 0.000 0.000 -7.898) 7.898 3.478 ( 0.000 0.000 4.835) 4.835 3.561 ( 0.000 0.000 -3.833) 3.833 3.882 ( 0.000 0.000 5.813) 5.813 3.991 ( 0.000 0.000 -5.429) 5.429 4.533 ( 0.000 0.000 3.211) 3.211 4.599 ( 0.000 0.000 -3.604) 3.604 ======================= Grid point 509 (146/180) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 1.662 -1.364 6.135) 6.501 0.814 ( -1.780 -1.149 0.712) 2.235 0.996 ( 4.545 -0.495 4.158) 6.179 1.106 ( 2.694 -0.058 -5.718) 6.321 1.290 ( -0.528 0.254 5.454) 5.485 1.348 ( -0.778 0.093 -0.293) 0.837 1.391 ( 2.642 0.205 3.722) 4.569 1.459 ( 1.621 0.211 -2.058) 2.628 1.535 ( 2.211 0.157 4.305) 4.842 1.649 ( 2.460 0.199 -5.277) 5.825 1.699 ( 0.961 0.152 7.416) 7.479 1.749 ( -0.791 0.798 2.897) 3.107 1.920 ( -2.078 0.471 2.075) 2.974 1.940 ( -0.101 -1.705 2.056) 2.672 2.017 ( -0.291 2.950 -0.660) 3.037 2.049 ( -0.364 -3.621 -2.380) 4.349 2.540 ( -8.672 1.569 0.409) 8.822 2.633 ( -6.089 0.897 -9.263) 11.122 3.415 ( -4.137 -0.281 5.246) 6.687 3.507 ( -4.217 -0.406 -4.190) 5.958 3.995 ( 8.813 0.049 3.905) 9.640 4.073 ( 6.627 -0.011 -3.969) 7.724 4.536 ( 0.256 -0.368 2.949) 2.983 4.598 ( -0.113 -0.082 -3.411) 3.414 ======================= Grid point 510 (147/180) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 1.439 -1.321 4.348) 4.766 0.808 ( 1.652 -2.319 3.517) 4.525 1.082 ( 3.338 -0.504 2.428) 4.159 1.156 ( 1.626 -0.179 -4.627) 4.907 1.299 ( 1.949 1.231 5.480) 5.945 1.350 ( 1.299 0.265 0.503) 1.417 1.425 ( 0.643 2.986 3.156) 4.392 1.485 ( 0.937 1.126 -1.405) 2.030 1.553 ( -1.049 0.615 4.247) 4.417 1.683 ( -0.741 0.503 -5.947) 6.014 1.725 ( 2.957 -0.335 3.982) 4.972 1.749 ( 1.531 -0.680 0.911) 1.907 1.846 ( -5.233 -1.681 2.137) 5.897 1.929 ( -2.879 -1.925 -5.687) 6.658 2.027 ( 2.796 0.865 5.340) 6.090 2.082 ( 2.755 -1.737 -0.356) 3.276 2.330 ( -10.264 1.594 3.195) 10.867 2.474 ( -8.513 1.473 -11.532) 14.410 3.360 ( -1.457 -0.196 4.286) 4.531 3.436 ( -2.691 -0.514 -3.633) 4.550 4.160 ( 6.840 0.008 2.084) 7.150 4.199 ( 5.153 -0.207 -1.865) 5.484 4.551 ( 1.330 -0.119 2.160) 2.540 4.600 ( 0.506 0.121 -2.810) 2.858 ======================= Grid point 511 (148/180) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 1.500 -1.406 5.606) 5.971 0.876 ( 2.726 -2.187 0.693) 3.563 1.127 ( 1.247 0.155 2.518) 2.814 1.169 ( 0.004 0.266 -2.063) 2.080 1.343 ( 1.825 4.984 3.941) 6.611 1.381 ( -0.610 2.877 1.342) 3.233 1.394 ( 1.776 1.429 2.392) 3.304 1.448 ( -3.505 5.811 -3.781) 7.768 1.517 ( -2.046 -2.535 4.493) 5.550 1.628 ( -4.823 -2.581 -5.718) 7.913 1.745 ( -4.559 -2.209 1.548) 5.297 1.795 ( 2.951 -0.703 1.349) 3.320 1.811 ( 3.284 -1.132 -0.366) 3.493 1.863 ( -4.056 -3.467 -8.254) 9.828 2.079 ( 1.305 2.013 5.193) 5.721 2.158 ( -1.438 0.962 -2.041) 2.675 2.170 ( 0.510 -1.921 5.528) 5.875 2.319 ( -5.288 0.979 -10.503) 11.799 3.354 ( 0.685 0.028 2.885) 2.966 3.406 ( -0.650 -0.270 -2.450) 2.549 4.253 ( 2.504 -0.186 0.983) 2.696 4.265 ( 1.394 -0.599 -0.190) 1.529 4.591 ( 2.632 0.634 1.288) 2.998 4.622 ( 1.864 0.379 -1.905) 2.692 ======================= Grid point 512 (149/180) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 2.248 -1.234 4.125) 4.857 0.921 ( 0.872 -1.504 -0.744) 1.891 1.129 ( -1.093 2.071 2.908) 3.734 1.164 ( 0.249 1.071 0.147) 1.109 1.281 ( -2.479 3.949 -0.504) 4.690 1.304 ( -4.976 5.892 -3.557) 8.493 1.417 ( 0.797 1.178 3.225) 3.525 1.438 ( 1.819 0.189 1.736) 2.521 1.477 ( -2.382 -1.110 0.195) 2.636 1.539 ( -4.522 -1.881 -4.655) 6.756 1.703 ( -0.464 -2.526 -1.129) 2.806 1.792 ( -2.632 -3.311 -7.675) 8.763 1.863 ( 1.945 -1.070 0.617) 2.305 1.879 ( 2.002 -1.572 -1.391) 2.901 2.037 ( -2.438 1.925 2.598) 4.050 2.087 ( -3.625 1.285 -2.309) 4.486 2.250 ( 3.360 -0.561 1.725) 3.818 2.289 ( 1.411 -0.479 -2.821) 3.191 3.378 ( 1.543 0.071 1.628) 2.244 3.407 ( 0.442 -0.043 -1.297) 1.371 4.268 ( -0.509 -0.192 0.991) 1.130 4.279 ( -0.095 -0.542 -0.091) 0.558 4.639 ( 2.322 0.873 1.162) 2.739 4.663 ( 2.054 0.286 -1.299) 2.447 ======================= Grid point 513 (150/180) ======================= q-point: ( 0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 1.638 -1.077 0.902) 2.158 0.933 ( 0.119 -0.297 -0.731) 0.798 1.075 ( -1.872 2.325 3.046) 4.265 1.162 ( -0.846 1.631 -4.298) 4.674 1.198 ( -1.659 0.563 1.621) 2.387 1.260 ( -0.108 0.722 -3.150) 3.233 1.399 ( -1.115 0.376 2.178) 2.476 1.443 ( -0.799 -0.407 -0.304) 0.947 1.468 ( 0.486 -0.052 -0.859) 0.988 1.483 ( -1.322 0.095 -2.777) 3.077 1.737 ( 2.195 -0.936 -3.986) 4.645 1.772 ( -1.015 -1.691 -6.382) 6.680 1.886 ( 0.022 -0.619 0.846) 1.049 1.903 ( -0.146 -1.104 -1.163) 1.610 1.996 ( -0.916 1.213 1.282) 1.988 2.025 ( -1.327 0.888 -1.941) 2.514 2.298 ( 1.234 -0.144 1.925) 2.291 2.321 ( 0.971 -0.255 -0.547) 1.143 3.406 ( 1.012 -0.003 0.592) 1.173 3.415 ( 0.120 0.027 -0.326) 0.348 4.256 ( -0.446 -0.064 1.345) 1.418 4.274 ( -0.294 -0.188 -0.469) 0.584 4.669 ( 0.893 0.370 1.283) 1.606 4.692 ( 0.798 0.097 -1.064) 1.333 ======================= Grid point 520 (151/180) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 3.214 -0.000 3.711) 4.909 0.796 ( 0.182 -0.000 4.234) 4.238 1.079 ( 3.479 -0.000 2.497) 4.283 1.155 ( 1.655 -0.000 -4.704) 4.987 1.305 ( 2.110 -0.000 5.245) 5.654 1.351 ( 1.310 -0.000 0.655) 1.465 1.440 ( 1.776 -0.000 2.886) 3.389 1.489 ( 0.884 -0.000 0.362) 0.956 1.557 ( -1.102 0.000 3.019) 3.214 1.686 ( -1.419 0.000 -6.341) 6.498 1.724 ( 3.145 -0.000 3.468) 4.682 1.745 ( 1.051 -0.000 2.049) 2.303 1.838 ( -5.267 0.000 1.778) 5.559 1.920 ( -3.133 0.000 -5.854) 6.640 2.032 ( 2.556 -0.000 4.548) 5.217 2.073 ( 3.323 -0.000 0.358) 3.342 2.337 ( -10.646 0.000 3.154) 11.104 2.481 ( -8.635 0.000 -11.432) 14.327 3.359 ( -1.379 0.000 4.209) 4.429 3.434 ( -2.609 0.000 -3.551) 4.407 4.160 ( 6.793 -0.000 2.020) 7.087 4.198 ( 5.088 -0.000 -1.804) 5.398 4.551 ( 1.493 -0.000 2.241) 2.693 4.601 ( 0.572 -0.000 -2.852) 2.909 ======================= Grid point 521 (152/180) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 1.694 -0.460 5.376) 5.656 0.862 ( 3.031 -0.784 0.957) 3.274 1.128 ( 1.515 0.052 2.364) 2.808 1.171 ( 0.240 0.078 -2.188) 2.203 1.368 ( 3.959 1.055 3.660) 5.494 1.391 ( 2.048 0.092 0.980) 2.273 1.433 ( -2.185 5.662 3.590) 7.052 1.484 ( -2.891 -4.470 4.841) 7.195 1.498 ( -2.177 3.886 -3.654) 5.762 1.600 ( -6.647 -2.707 -5.348) 8.950 1.733 ( -4.316 -0.540 0.212) 4.355 1.792 ( 2.690 -0.139 1.178) 2.940 1.803 ( 3.550 -0.527 -0.233) 3.597 1.839 ( -4.130 -1.447 -8.596) 9.646 2.095 ( 2.524 1.123 4.931) 5.652 2.155 ( -0.961 -1.052 6.694) 6.844 2.164 ( -0.901 0.346 -1.889) 2.121 2.325 ( -5.862 0.329 -11.109) 12.565 3.354 ( 0.732 0.012 2.788) 2.882 3.404 ( -0.532 -0.102 -2.342) 2.404 4.252 ( 2.525 -0.068 0.882) 2.676 4.262 ( 1.324 -0.219 -0.015) 1.342 4.595 ( 2.794 0.230 1.191) 3.046 4.625 ( 1.853 0.140 -1.847) 2.620 ======================= Grid point 522 (153/180) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 2.363 -0.631 3.901) 4.604 0.910 ( 1.307 -0.879 -0.766) 1.752 1.144 ( 0.181 1.023 2.748) 2.938 1.172 ( 0.046 0.600 0.177) 0.628 1.316 ( -5.158 3.442 0.464) 6.218 1.356 ( -6.174 4.737 -3.538) 8.548 1.422 ( 0.015 -0.196 2.026) 2.036 1.446 ( 2.262 1.697 1.379) 3.146 1.464 ( -2.066 -1.399 0.293) 2.513 1.514 ( -3.187 -3.545 -2.754) 5.506 1.686 ( -0.156 -1.057 -2.420) 2.645 1.768 ( -2.166 -1.851 -8.396) 8.866 1.855 ( 2.011 -0.697 0.519) 2.191 1.867 ( 2.024 -1.027 -0.716) 2.380 2.053 ( -2.929 1.347 2.777) 4.255 2.094 ( -3.227 0.353 -1.120) 3.434 2.247 ( 3.587 -0.180 1.326) 3.828 2.285 ( 1.284 -0.380 -3.549) 3.793 3.379 ( 1.519 0.041 1.586) 2.196 3.406 ( 0.498 -0.027 -1.242) 1.338 4.266 ( -0.488 -0.140 0.946) 1.074 4.275 ( 0.066 -0.284 0.059) 0.297 4.646 ( 2.209 0.535 0.891) 2.441 4.665 ( 1.963 0.141 -1.108) 2.258 ======================= Grid point 523 (154/180) ======================= q-point: ( 0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 1.777 -0.860 1.152) 2.286 0.929 ( 0.607 -0.421 -1.141) 1.359 1.102 ( -2.879 3.195 3.287) 5.413 1.175 ( 0.215 0.446 0.006) 0.495 1.204 ( -4.361 1.313 -2.501) 5.196 1.261 ( -1.613 -0.607 -3.798) 4.171 1.401 ( -1.304 0.111 1.730) 2.170 1.439 ( -0.604 -0.510 -0.815) 1.135 1.468 ( 0.391 0.154 -0.519) 0.668 1.482 ( -1.031 -0.342 -1.614) 1.946 1.733 ( 3.523 -0.042 -4.643) 5.828 1.760 ( 0.248 -0.774 -6.176) 6.229 1.879 ( 0.319 -0.694 0.723) 1.052 1.891 ( 0.198 -1.318 -0.550) 1.442 2.008 ( -1.334 1.224 0.937) 2.039 2.031 ( -2.085 0.369 -1.643) 2.680 2.297 ( 1.349 -0.081 1.796) 2.248 2.319 ( 1.191 -0.221 -0.630) 1.365 3.406 ( 0.986 -0.003 0.601) 1.155 3.415 ( 0.125 0.019 -0.329) 0.353 4.255 ( -0.386 -0.056 1.325) 1.381 4.273 ( -0.139 -0.136 -0.398) 0.443 4.672 ( 0.587 0.291 1.144) 1.318 4.693 ( 0.721 0.065 -0.965) 1.206 ======================= Grid point 524 (155/180) ======================= q-point: (-0.55 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.820 0.408 0.435) 1.014 0.935 ( 0.124 0.369 -0.186) 0.431 1.060 ( 0.394 -0.971 3.005) 3.182 1.153 ( 0.011 -0.200 -5.329) 5.333 1.189 ( 0.468 -1.337 2.396) 2.784 1.248 ( -0.731 -1.798 -2.946) 3.528 1.395 ( 0.685 -0.421 2.541) 2.665 1.446 ( 0.934 0.213 0.004) 0.958 1.468 ( -0.331 -0.004 -0.649) 0.728 1.481 ( 1.308 -0.287 -3.672) 3.909 1.749 ( -0.986 1.577 -3.450) 3.919 1.791 ( 2.279 2.356 -6.990) 7.720 1.890 ( 0.521 0.225 0.974) 1.128 1.909 ( 1.056 0.096 -1.401) 1.757 1.987 ( -0.020 -0.521 1.267) 1.370 2.015 ( 0.361 -1.201 -1.843) 2.229 2.300 ( -1.055 0.158 2.017) 2.282 2.324 ( -0.770 0.210 -0.454) 0.918 3.406 ( -1.042 0.003 0.581) 1.193 3.414 ( -0.113 -0.028 -0.321) 0.341 4.256 ( 0.505 0.052 1.376) 1.467 4.276 ( 0.478 0.181 -0.556) 0.756 4.666 ( -1.216 -0.332 1.428) 1.904 4.691 ( -0.900 -0.098 -1.162) 1.473 ======================= Grid point 525 (156/180) ======================= q-point: (-0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.997 1.736 4.433) 5.163 0.936 ( -0.148 1.525 -0.374) 1.578 1.108 ( 2.143 -2.405 2.478) 4.064 1.152 ( -0.389 -1.368 -0.152) 1.431 1.246 ( 1.352 -3.649 -1.506) 4.173 1.252 ( 2.545 -5.008 -2.751) 6.255 1.406 ( -1.099 -1.199 4.226) 4.528 1.438 ( -1.592 0.044 1.227) 2.010 1.483 ( 2.431 0.372 0.349) 2.484 1.550 ( 5.034 0.529 -5.814) 7.709 1.731 ( 1.005 3.265 0.031) 3.416 1.826 ( 2.953 3.857 -6.755) 8.320 1.873 ( -1.888 1.073 0.731) 2.292 1.894 ( -1.939 1.547 -2.179) 3.302 2.019 ( 2.166 -1.877 2.100) 3.553 2.071 ( 3.776 -2.202 -3.421) 5.551 2.257 ( -2.922 0.848 1.980) 3.630 2.293 ( -1.626 0.350 -1.937) 2.553 3.378 ( -1.573 -0.079 1.684) 2.305 3.407 ( -0.370 0.044 -1.369) 1.419 4.269 ( 0.538 0.182 1.106) 1.243 4.284 ( 0.321 0.651 -0.358) 0.809 4.631 ( -2.491 -0.945 1.501) 3.057 4.660 ( -2.169 -0.353 -1.519) 2.672 ======================= Grid point 526 (157/180) ======================= q-point: (-0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -1.106 2.316 5.982) 6.509 0.901 ( -2.200 3.130 0.377) 3.844 1.125 ( -0.669 -0.275 2.860) 2.950 1.166 ( 0.489 -0.447 -1.861) 1.975 1.285 ( 0.449 -6.678 3.302) 7.463 1.349 ( 1.187 -4.788 -0.635) 4.973 1.379 ( -1.399 -2.043 1.365) 2.827 1.408 ( 0.533 -2.057 -1.175) 2.428 1.533 ( 1.983 1.068 4.278) 4.835 1.644 ( 3.930 0.910 -6.203) 7.399 1.773 ( 4.447 3.576 3.001) 6.447 1.804 ( -3.130 1.033 1.487) 3.616 1.822 ( -3.266 1.147 -0.455) 3.491 1.899 ( 4.048 4.022 -7.124) 9.128 2.061 ( -0.184 -1.723 4.561) 4.879 2.147 ( 1.970 -1.373 -2.621) 3.555 2.188 ( -1.425 2.013 4.226) 4.893 2.307 ( 4.191 -1.589 -9.296) 10.320 3.354 ( -0.598 -0.030 3.045) 3.103 3.409 ( 0.847 0.348 -2.627) 2.782 4.255 ( -2.483 0.253 1.157) 2.751 4.272 ( -1.510 0.816 -0.497) 1.786 4.584 ( -2.361 -0.868 1.468) 2.912 4.618 ( -1.873 -0.504 -2.010) 2.793 ======================= Grid point 527 (158/180) ======================= q-point: (-0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.593 2.874 4.719) 5.557 0.837 ( -1.712 3.756 2.971) 5.086 1.088 ( -2.961 0.944 2.222) 3.820 1.158 ( -1.567 0.267 -4.393) 4.672 1.282 ( -1.323 -2.405 6.114) 6.702 1.347 ( -1.168 -0.430 0.048) 1.246 1.391 ( 0.754 -4.131 3.204) 5.282 1.464 ( 0.434 -3.457 -3.781) 5.141 1.549 ( 0.196 -0.157 5.996) 6.001 1.679 ( -0.262 -0.283 -5.334) 5.348 1.729 ( -2.999 0.304 3.899) 4.928 1.754 ( -2.426 0.227 -0.313) 2.457 1.869 ( 4.948 3.137 3.020) 6.591 1.952 ( 2.268 2.774 -4.705) 5.914 2.021 ( -2.801 -0.148 6.498) 7.078 2.103 ( -1.750 2.579 -1.759) 3.579 2.308 ( 9.157 -3.023 3.287) 10.188 2.454 ( 8.194 -2.790 -11.852) 14.677 3.362 ( 1.667 0.350 4.482) 4.795 3.443 ( 2.906 0.850 -3.840) 4.890 4.159 ( -6.966 -0.001 2.245) 7.319 4.202 ( -5.330 0.329 -2.014) 5.707 4.553 ( -0.891 0.201 1.940) 2.144 4.598 ( -0.330 -0.213 -2.696) 2.725 ======================= Grid point 528 (159/180) ======================= q-point: (-0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -1.377 3.739 5.834) 7.065 0.835 ( 1.984 3.107 1.009) 3.821 1.005 ( -4.424 1.387 3.605) 5.873 1.107 ( -2.760 0.095 -5.240) 5.923 1.286 ( 0.830 -0.649 5.585) 5.684 1.347 ( 0.806 -0.137 -0.356) 0.891 1.387 ( -2.009 -0.831 3.392) 4.029 1.455 ( -1.371 -0.662 -2.347) 2.798 1.532 ( -1.942 -0.425 4.551) 4.966 1.645 ( -2.273 -0.509 -5.003) 5.518 1.696 ( -1.258 -0.633 6.708) 6.854 1.735 ( 0.206 -2.088 2.799) 3.498 1.920 ( 0.631 0.427 2.313) 2.435 1.962 ( 1.047 2.581 -0.435) 2.819 1.995 ( -0.186 -1.249 3.878) 4.079 2.084 ( 0.873 3.964 -3.418) 5.306 2.512 ( 8.105 -4.429 0.989) 9.289 2.617 ( 6.052 -2.552 -9.951) 11.923 3.420 ( 4.260 0.751 5.340) 6.873 3.514 ( 4.282 1.065 -4.314) 6.171 3.995 ( -8.789 -0.126 3.999) 9.657 4.073 ( -6.661 0.026 -4.003) 7.771 4.542 ( -0.064 0.974 2.567) 2.746 4.599 ( 0.215 0.207 -3.248) 3.262 ======================= Grid point 529 (160/180) ======================= q-point: (-0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.000 2.970 7.100) 7.696 0.858 ( -0.000 2.737 -4.778) 5.506 0.936 ( -0.000 0.829 8.516) 8.556 1.075 ( -0.000 0.023 -5.683) 5.683 1.304 ( 0.000 -0.133 4.762) 4.764 1.355 ( 0.000 -0.055 4.778) 4.778 1.362 ( -0.000 0.061 -1.092) 1.093 1.439 ( 0.000 -0.166 -3.073) 3.078 1.506 ( -0.000 0.028 5.070) 5.070 1.621 ( 0.000 -0.184 -5.863) 5.866 1.684 ( 0.000 -0.699 9.883) 9.908 1.751 ( 0.000 -1.954 2.919) 3.512 1.920 ( 0.000 -0.784 3.558) 3.643 1.967 ( -0.000 2.612 1.606) 3.066 2.004 ( 0.000 -2.785 0.122) 2.787 2.077 ( -0.000 4.127 -3.722) 5.558 2.620 ( 0.000 -3.762 -0.991) 3.891 2.691 ( 0.000 -1.749 -8.396) 8.577 3.481 ( -0.000 0.648 4.876) 4.919 3.565 ( -0.000 0.830 -3.890) 3.977 3.881 ( 0.000 -0.012 5.816) 5.816 3.991 ( -0.000 0.001 -5.432) 5.432 4.537 ( -0.000 0.914 2.970) 3.108 4.601 ( -0.000 0.270 -3.509) 3.519 ======================= Grid point 532 (161/180) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.394 -0.000 3.818) 4.507 0.906 ( 1.452 -0.000 -0.743) 1.631 1.148 ( 0.693 -0.000 2.625) 2.715 1.175 ( -0.022 0.000 0.158) 0.159 1.335 ( -6.850 0.000 1.025) 6.926 1.381 ( -6.576 0.000 -3.110) 7.274 1.419 ( -0.102 0.000 1.942) 1.945 1.450 ( 0.628 -0.000 -1.362) 1.500 1.471 ( -1.450 0.000 0.941) 1.729 1.483 ( -0.905 0.000 -0.910) 1.283 1.682 ( -0.096 0.000 -2.949) 2.951 1.759 ( -1.950 0.000 -8.691) 8.908 1.851 ( 2.043 -0.000 0.478) 2.098 1.862 ( 2.026 -0.000 -0.434) 2.072 2.060 ( -3.265 0.000 2.792) 4.296 2.095 ( -2.904 0.000 -0.575) 2.960 2.246 ( 3.636 -0.000 1.149) 3.813 2.283 ( 1.240 -0.000 -3.857) 4.051 3.379 ( 1.510 -0.000 1.569) 2.178 3.406 ( 0.519 -0.000 -1.221) 1.327 4.265 ( -0.474 0.000 0.945) 1.057 4.274 ( 0.117 -0.000 0.098) 0.153 4.648 ( 2.171 -0.000 0.783) 2.308 4.666 ( 1.927 -0.000 -1.028) 2.184 ======================= Grid point 533 (162/180) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 1.784 -0.316 1.237) 2.194 0.926 ( 0.835 -0.193 -1.316) 1.570 1.131 ( -3.705 2.719 3.712) 5.908 1.166 ( 0.055 -1.767 2.588) 3.134 1.225 ( -3.928 2.598 -4.816) 6.736 1.249 ( -3.754 -1.857 -4.865) 6.420 1.402 ( -1.184 -0.025 1.401) 1.834 1.435 ( -0.388 -0.251 -1.204) 1.290 1.471 ( -0.122 0.325 0.007) 0.347 1.478 ( -0.375 -0.434 -0.807) 0.990 1.734 ( 4.455 0.182 -5.088) 6.766 1.756 ( 0.988 -0.189 -6.245) 6.325 1.875 ( 0.413 -0.286 0.615) 0.794 1.881 ( 0.200 -0.623 -0.006) 0.655 2.017 ( -1.311 0.590 0.587) 1.553 2.032 ( -2.633 -0.010 -1.254) 2.916 2.297 ( 1.387 -0.021 1.698) 2.192 2.318 ( 1.346 -0.090 -0.677) 1.510 3.406 ( 0.971 -0.001 0.606) 1.145 3.415 ( 0.128 0.007 -0.331) 0.354 4.255 ( -0.345 -0.022 1.317) 1.361 4.272 ( -0.053 -0.049 -0.362) 0.369 4.674 ( 0.398 0.111 1.057) 1.135 4.693 ( 0.685 0.021 -0.902) 1.133 ======================= Grid point 534 (163/180) ======================= q-point: (-0.64 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.359 -0.249 0.458) 0.633 0.940 ( 0.016 0.414 -0.368) 0.554 1.056 ( -1.199 0.004 3.303) 3.514 1.157 ( -1.314 0.938 -5.911) 6.128 1.177 ( 0.171 -1.151 2.490) 2.749 1.229 ( -0.845 -2.087 -2.842) 3.626 1.392 ( 0.335 -0.243 2.788) 2.819 1.447 ( 1.070 0.072 0.094) 1.076 1.468 ( -0.135 -0.073 -0.290) 0.328 1.479 ( 1.153 -0.163 -4.061) 4.224 1.763 ( -0.225 1.271 -3.225) 3.473 1.812 ( 3.145 1.970 -7.911) 8.738 1.890 ( 1.115 -0.042 1.081) 1.553 1.905 ( 2.050 -0.748 -0.861) 2.346 1.987 ( -0.963 0.374 0.613) 1.202 2.004 ( -0.584 -1.175 -1.280) 1.833 2.301 ( -0.893 0.103 2.058) 2.245 2.325 ( -0.636 0.116 -0.381) 0.751 3.406 ( -1.067 0.001 0.573) 1.211 3.414 ( -0.106 -0.018 -0.316) 0.334 4.257 ( 0.547 0.028 1.405) 1.508 4.277 ( 0.628 0.111 -0.631) 0.897 4.663 ( -1.460 -0.195 1.534) 2.127 4.690 ( -0.986 -0.062 -1.231) 1.579 ======================= Grid point 535 (164/180) ======================= q-point: (-0.55 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -1.598 1.988 4.770) 5.409 0.946 ( 0.719 0.539 0.741) 1.165 1.090 ( 2.581 -1.234 0.889) 2.996 1.139 ( -0.566 -1.547 -0.957) 1.905 1.208 ( 2.255 -3.680 -2.105) 4.802 1.221 ( -0.919 -2.413 -1.355) 2.916 1.396 ( -1.045 -0.742 4.785) 4.954 1.438 ( -1.633 0.004 0.906) 1.868 1.485 ( 2.409 0.046 0.484) 2.458 1.552 ( 5.192 0.035 -6.255) 8.129 1.759 ( 1.433 2.678 0.712) 3.120 1.860 ( 2.872 3.225 -5.621) 7.089 1.882 ( -1.853 0.801 0.802) 2.172 1.906 ( -1.825 1.098 -2.887) 3.587 2.005 ( 2.171 -1.135 1.209) 2.732 2.048 ( 3.839 -2.582 -4.136) 6.205 2.265 ( -2.410 0.784 1.921) 3.180 2.296 ( -1.915 0.144 -1.077) 2.202 3.377 ( -1.600 -0.061 1.734) 2.360 3.408 ( -0.305 0.032 -1.435) 1.467 4.271 ( 0.578 0.132 1.242) 1.376 4.290 ( 0.535 0.530 -0.650) 0.995 4.623 ( -2.665 -0.729 1.814) 3.305 4.657 ( -2.276 -0.289 -1.705) 2.858 ======================= Grid point 536 (165/180) ======================= q-point: (-0.45 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.590 2.924 6.428) 7.086 0.931 ( -1.535 3.195 0.355) 3.562 1.121 ( 0.317 -0.521 3.532) 3.584 1.162 ( 1.231 -0.260 -1.827) 2.218 1.227 ( 0.148 -5.425 2.123) 5.828 1.293 ( 2.906 -6.567 -3.383) 7.938 1.365 ( -1.665 -1.019 2.934) 3.524 1.399 ( -1.661 -0.488 -0.210) 1.744 1.539 ( 2.110 0.422 4.144) 4.669 1.648 ( 3.733 0.202 -6.270) 7.300 1.804 ( 0.943 2.515 2.865) 3.928 1.815 ( -0.896 1.570 2.176) 2.829 1.832 ( -2.683 0.991 -0.017) 2.861 1.933 ( 3.655 3.043 -4.576) 6.600 2.050 ( 1.043 -0.656 2.667) 2.938 2.133 ( 2.783 -1.496 -3.746) 4.900 2.207 ( -1.938 2.026 2.581) 3.811 2.290 ( 2.680 -2.084 -7.492) 8.225 3.354 ( -0.496 -0.021 3.211) 3.249 3.412 ( 1.059 0.315 -2.814) 3.023 4.258 ( -2.471 0.242 1.353) 2.827 4.280 ( -1.645 0.787 -0.853) 2.013 4.576 ( -2.063 -0.840 1.690) 2.796 4.614 ( -1.868 -0.472 -2.131) 2.873 ======================= Grid point 537 (166/180) ======================= q-point: (-0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.169 3.868 5.017) 6.337 0.875 ( -1.538 4.358 2.576) 5.291 1.099 ( -2.480 1.272 1.888) 3.367 1.160 ( -1.619 0.205 -3.977) 4.299 1.255 ( 0.179 -3.293 6.756) 7.519 1.342 ( -0.548 -0.639 -1.322) 1.567 1.352 ( 1.000 -4.059 3.498) 5.451 1.426 ( 1.731 -4.403 -4.262) 6.368 1.550 ( -0.599 0.254 6.405) 6.438 1.678 ( -0.713 0.161 -5.122) 5.174 1.730 ( -3.421 -0.020 3.243) 4.714 1.753 ( -3.315 -0.423 -0.776) 3.431 1.901 ( 4.397 3.668 4.138) 7.065 1.972 ( 0.997 1.225 -0.681) 1.720 2.030 ( -1.577 2.503 4.927) 5.747 2.129 ( -0.688 3.165 -3.112) 4.492 2.275 ( 7.402 -4.060 3.330) 9.075 2.423 ( 7.824 -3.738 -12.470) 15.188 3.366 ( 1.943 0.404 4.719) 5.120 3.451 ( 3.177 0.906 -4.092) 5.259 4.160 ( -7.132 0.013 2.438) 7.538 4.205 ( -5.566 0.334 -2.183) 5.988 4.555 ( -0.307 0.222 1.646) 1.689 4.596 ( -0.110 -0.247 -2.539) 2.553 ======================= Grid point 538 (167/180) ======================= q-point: (-0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.956 5.139 5.355) 7.483 0.869 ( 2.198 4.183 1.612) 4.992 1.021 ( -4.174 1.980 2.586) 5.294 1.108 ( -2.869 -0.068 -4.276) 5.150 1.279 ( 1.343 -0.699 5.712) 5.909 1.346 ( 0.864 0.076 -0.570) 1.037 1.375 ( -0.814 -1.819 2.963) 3.571 1.446 ( -0.753 -1.277 -3.100) 3.436 1.527 ( -1.582 -0.502 5.165) 5.426 1.640 ( -2.125 -0.508 -4.402) 4.914 1.687 ( -1.804 -1.238 5.231) 5.670 1.713 ( -0.851 -2.599 2.427) 3.657 1.927 ( -0.264 1.073 3.096) 3.287 1.971 ( -0.368 -0.406 -0.718) 0.904 2.011 ( 1.244 4.367 6.359) 7.813 2.121 ( 1.073 4.039 -3.850) 5.682 2.460 ( 7.191 -6.590 1.942) 9.945 2.587 ( 5.987 -3.727 -11.240) 13.269 3.429 ( 4.451 0.978 5.487) 7.133 3.525 ( 4.383 1.349 -4.501) 6.426 3.993 ( -8.752 -0.156 4.145) 9.685 4.074 ( -6.712 0.026 -4.055) 7.842 4.553 ( 0.247 1.257 1.940) 2.325 4.601 ( 0.382 0.240 -2.964) 2.998 ======================= Grid point 539 (168/180) ======================= q-point: (-0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( -0.000 5.070 6.666) 8.375 0.892 ( -0.000 4.586 -4.808) 6.644 0.947 ( -0.000 1.484 8.111) 8.246 1.075 ( 0.000 -0.068 -4.827) 4.827 1.302 ( 0.000 -0.270 4.851) 4.858 1.354 ( 0.000 -0.046 4.378) 4.378 1.363 ( -0.000 0.088 -1.298) 1.301 1.437 ( 0.000 -0.306 -3.133) 3.148 1.507 ( -0.000 0.044 4.920) 4.920 1.619 ( 0.000 -0.314 -5.752) 5.760 1.673 ( 0.000 -1.660 8.995) 9.147 1.725 ( 0.000 -3.457 3.069) 4.623 1.918 ( -0.000 0.196 3.487) 3.493 1.973 ( 0.000 -1.528 -2.381) 2.829 2.008 ( -0.000 3.765 6.308) 7.346 2.115 ( -0.000 4.138 -3.991) 5.749 2.571 ( 0.000 -6.661 0.313) 6.668 2.667 ( 0.000 -3.271 -9.710) 10.246 3.489 ( -0.000 1.068 4.984) 5.097 3.576 ( -0.000 1.343 -4.023) 4.241 3.881 ( 0.000 -0.020 5.825) 5.825 3.991 ( -0.000 0.002 -5.439) 5.439 4.549 ( -0.000 1.505 2.343) 2.785 4.604 ( -0.000 0.430 -3.247) 3.275 ======================= Grid point 544 (169/180) ======================= q-point: (-0.73 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.619 -0.000 0.575) 0.845 0.942 ( 0.204 -0.000 -0.615) 0.648 1.057 ( -1.978 0.000 3.543) 4.058 1.162 ( -1.321 0.000 -4.996) 5.168 1.172 ( -0.655 0.000 1.074) 1.258 1.217 ( -0.480 0.000 -2.582) 2.626 1.391 ( 0.212 -0.000 2.880) 2.888 1.448 ( 1.138 -0.000 0.096) 1.142 1.467 ( -0.058 0.000 -0.160) 0.170 1.478 ( 1.071 -0.000 -4.117) 4.254 1.770 ( 0.021 -0.000 -3.202) 3.202 1.822 ( 3.451 -0.000 -8.554) 9.224 1.890 ( 1.372 -0.000 1.080) 1.746 1.900 ( 2.422 -0.000 -0.235) 2.433 1.992 ( -1.301 0.000 -0.137) 1.308 1.996 ( -0.986 0.000 -0.598) 1.154 2.302 ( -0.827 0.000 2.067) 2.226 2.326 ( -0.590 0.000 -0.354) 0.688 3.406 ( -1.076 0.000 0.569) 1.218 3.414 ( -0.103 0.000 -0.314) 0.331 4.257 ( 0.562 -0.000 1.417) 1.524 4.278 ( 0.685 -0.000 -0.660) 0.951 4.663 ( -1.550 0.000 1.574) 2.209 4.690 ( -1.019 0.000 -1.256) 1.618 ======================= Grid point 546 (170/180) ======================= q-point: (-0.64 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.312 1.389 5.193) 5.533 0.945 ( 1.307 -0.551 1.882) 2.357 1.086 ( 3.573 0.141 -1.067) 3.732 1.126 ( -1.597 -1.060 -1.877) 2.683 1.185 ( 1.035 -1.279 -0.917) 1.884 1.205 ( -1.020 -0.918 -1.306) 1.895 1.392 ( -0.982 -0.238 5.060) 5.160 1.438 ( -1.680 -0.005 0.741) 1.836 1.485 ( 2.407 -0.010 0.567) 2.473 1.552 ( 5.239 -0.025 -6.363) 8.242 1.777 ( 1.623 1.041 1.037) 2.189 1.882 ( 2.510 1.356 -4.367) 5.216 1.887 ( -1.838 0.244 0.751) 2.001 1.914 ( -1.699 0.396 -3.337) 3.766 2.000 ( 2.276 0.066 0.258) 2.291 2.027 ( 4.007 -1.642 -4.572) 6.298 2.270 ( -2.023 0.330 1.722) 2.677 2.296 ( -2.178 0.016 -0.482) 2.231 3.377 ( -1.616 -0.023 1.763) 2.392 3.408 ( -0.266 0.012 -1.474) 1.497 4.272 ( 0.607 0.049 1.331) 1.464 4.294 ( 0.666 0.205 -0.841) 1.092 4.618 ( -2.779 -0.275 2.005) 3.438 4.655 ( -2.340 -0.111 -1.811) 2.961 ======================= Grid point 547 (171/180) ======================= q-point: (-0.55 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.152 2.545 6.895) 7.352 0.956 ( -0.770 1.811 0.945) 2.183 1.115 ( 1.405 -0.737 4.324) 4.606 1.164 ( 2.048 0.957 -2.546) 3.405 1.190 ( -0.869 -2.583 0.728) 2.821 1.235 ( 2.773 -5.753 -3.610) 7.336 1.358 ( -1.847 -0.412 3.350) 3.848 1.396 ( -2.148 -0.210 -0.266) 2.174 1.542 ( 2.255 0.165 4.084) 4.668 1.649 ( 3.776 0.037 -6.228) 7.283 1.815 ( -3.930 0.527 1.258) 4.160 1.830 ( -2.185 1.056 0.680) 2.520 1.842 ( 2.874 1.302 3.957) 5.061 1.953 ( 2.820 1.231 -1.405) 3.382 2.049 ( 2.249 0.442 0.524) 2.351 2.121 ( 3.681 -1.157 -5.529) 6.742 2.226 ( -1.783 2.159 0.424) 2.832 2.269 ( 0.960 -2.355 -5.136) 5.731 3.354 ( -0.413 -0.010 3.334) 3.359 3.414 ( 1.220 0.185 -2.953) 3.200 4.259 ( -2.465 0.148 1.508) 2.894 4.286 ( -1.761 0.487 -1.144) 2.156 4.569 ( -1.830 -0.522 1.883) 2.678 4.610 ( -1.856 -0.285 -2.230) 2.915 ======================= Grid point 548 (172/180) ======================= q-point: (-0.45 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.737 3.840 5.263) 6.557 0.913 ( -1.386 3.555 2.468) 4.544 1.111 ( -2.143 1.458 1.445) 2.967 1.160 ( -2.012 -0.416 -2.718) 3.408 1.226 ( 2.500 -2.479 5.974) 6.935 1.310 ( 1.608 -4.447 1.292) 4.902 1.342 ( -0.169 0.003 -0.476) 0.505 1.388 ( 1.409 -3.384 -3.387) 4.991 1.553 ( -0.885 0.324 6.337) 6.406 1.681 ( -0.643 0.399 -5.230) 5.285 1.729 ( -3.986 -0.075 2.510) 4.711 1.747 ( -4.074 -0.798 -0.669) 4.205 1.933 ( 3.736 2.889 5.377) 7.157 1.976 ( -0.132 -0.034 3.326) 3.329 2.064 ( 0.522 4.394 2.703) 5.185 2.158 ( 0.413 2.549 -3.323) 4.208 2.237 ( 4.780 -3.874 2.920) 6.810 2.387 ( 7.659 -3.869 -13.552) 16.040 3.369 ( 2.196 0.323 4.920) 5.397 3.459 ( 3.418 0.681 -4.308) 5.541 4.160 ( -7.287 0.018 2.601) 7.737 4.208 ( -5.787 0.241 -2.315) 6.238 4.557 ( 0.242 0.174 1.366) 1.398 4.594 ( 0.077 -0.201 -2.383) 2.392 ======================= Grid point 549 (173/180) ======================= q-point: (-0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.613 5.105 4.881) 7.090 0.908 ( 2.225 4.068 2.418) 5.230 1.040 ( -3.816 2.053 1.321) 4.530 1.105 ( -2.948 -0.403 -2.890) 4.148 1.275 ( 1.833 -0.176 5.587) 5.883 1.348 ( 0.768 -0.089 0.561) 0.955 1.354 ( 0.786 -2.221 1.131) 2.613 1.431 ( 0.427 -2.029 -4.010) 4.515 1.524 ( -1.464 -0.273 5.922) 6.106 1.637 ( -2.298 -0.078 -3.754) 4.402 1.674 ( -2.416 -1.423 3.432) 4.432 1.689 ( -1.941 -2.413 2.081) 3.731 1.938 ( -0.945 1.141 4.246) 4.497 1.967 ( -0.715 -0.288 2.946) 3.045 2.061 ( 1.652 6.342 4.371) 7.877 2.158 ( 1.046 3.707 -3.587) 5.263 2.393 ( 6.198 -7.793 3.052) 10.414 2.551 ( 5.972 -3.975 -13.007) 14.854 3.437 ( 4.636 0.892 5.635) 7.351 3.537 ( 4.480 1.200 -4.681) 6.590 3.992 ( -8.715 -0.136 4.291) 9.715 4.074 ( -6.760 0.018 -4.103) 7.908 4.564 ( 0.574 1.156 1.264) 1.807 4.603 ( 0.557 0.173 -2.628) 2.691 ======================= Grid point 550 (174/180) ======================= q-point: (-0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -0.000 5.699 6.136) 8.374 0.938 ( -0.000 5.042 -4.737) 6.918 0.963 ( -0.000 1.803 7.483) 7.697 1.073 ( 0.000 -0.289 -3.535) 3.547 1.299 ( 0.000 -0.415 4.914) 4.932 1.354 ( -0.000 0.030 3.764) 3.764 1.363 ( -0.000 0.042 -1.670) 1.670 1.433 ( 0.000 -0.380 -3.204) 3.227 1.507 ( -0.000 0.044 4.726) 4.726 1.616 ( 0.000 -0.350 -5.598) 5.609 1.654 ( 0.000 -2.371 7.562) 7.925 1.690 ( 0.000 -3.921 3.120) 5.011 1.922 ( -0.000 0.647 4.264) 4.313 1.961 ( 0.000 -0.880 1.142) 1.442 2.053 ( -0.000 5.694 4.847) 7.478 2.153 ( -0.000 3.857 -3.829) 5.435 2.500 ( 0.000 -8.402 1.987) 8.634 2.633 ( 0.000 -4.007 -11.576) 12.250 3.499 ( -0.000 1.132 5.120) 5.244 3.589 ( -0.000 1.396 -4.164) 4.392 3.881 ( 0.000 -0.022 5.836) 5.836 3.991 ( -0.000 0.002 -5.449) 5.449 4.564 ( -0.000 1.610 1.551) 2.235 4.608 ( -0.000 0.418 -2.886) 2.916 ======================= Grid point 557 (175/180) ======================= q-point: (-0.64 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.014 0.000 7.181) 7.181 0.963 ( -0.275 0.000 1.473) 1.498 1.111 ( 1.616 -0.000 4.452) 4.737 1.173 ( -0.221 0.000 -2.708) 2.717 1.185 ( 3.530 -0.000 -0.413) 3.554 1.196 ( 0.417 -0.000 -3.317) 3.343 1.357 ( -1.884 0.000 3.429) 3.913 1.395 ( -2.263 0.000 -0.315) 2.285 1.542 ( 2.314 -0.000 4.069) 4.681 1.649 ( 3.814 -0.000 -6.207) 7.285 1.818 ( -4.185 0.000 1.141) 4.338 1.835 ( -4.566 0.000 -0.863) 4.647 1.850 ( 5.279 -0.000 6.059) 8.036 1.958 ( 2.408 -0.000 -0.161) 2.413 2.053 ( 2.655 -0.000 0.092) 2.657 2.115 ( 4.172 -0.000 -6.767) 7.950 2.247 ( -2.423 0.000 -0.394) 2.455 2.248 ( 1.004 -0.000 -4.238) 4.355 3.353 ( -0.381 0.000 3.379) 3.400 3.415 ( 1.279 -0.000 -3.004) 3.265 4.260 ( -2.464 0.000 1.566) 2.920 4.288 ( -1.808 0.000 -1.258) 2.203 4.567 ( -1.742 0.000 1.962) 2.623 4.609 ( -1.850 0.000 -2.268) 2.927 ======================= Grid point 559 (176/180) ======================= q-point: (-0.55 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.108 1.898 5.495) 5.918 0.936 ( -1.430 1.240 2.513) 3.147 1.125 ( -2.473 1.302 0.599) 2.858 1.150 ( -1.403 -1.435 1.116) 2.296 1.217 ( 3.533 0.291 1.831) 3.990 1.273 ( 2.307 -2.853 1.790) 4.082 1.344 ( 1.034 0.288 -1.665) 1.981 1.366 ( -0.243 -1.388 -1.936) 2.395 1.555 ( -0.942 0.142 6.259) 6.331 1.684 ( -0.375 0.217 -5.391) 5.408 1.730 ( -4.318 0.114 1.815) 4.685 1.740 ( -4.661 -0.553 -0.192) 4.698 1.952 ( 3.298 1.111 6.755) 7.599 1.975 ( -0.515 -0.137 3.969) 4.005 2.106 ( 3.181 4.037 2.256) 5.613 2.160 ( 1.602 -2.241 0.206) 2.762 2.218 ( 0.717 -0.019 0.033) 0.718 2.358 ( 7.939 -2.001 -15.066) 17.147 3.371 ( 2.347 0.123 5.032) 5.554 3.463 ( 3.557 0.252 -4.429) 5.686 4.160 ( -7.380 0.008 2.692) 7.856 4.209 ( -5.922 0.087 -2.385) 6.385 4.558 ( 0.578 0.067 1.194) 1.328 4.593 ( 0.177 -0.079 -2.283) 2.291 ======================= Grid point 560 (177/180) ======================= q-point: (-0.45 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.507 3.329 4.567) 5.675 0.940 ( 2.101 2.597 3.122) 4.572 1.056 ( -3.476 1.390 0.210) 3.750 1.101 ( -2.899 -0.555 -1.424) 3.278 1.278 ( 1.795 0.889 5.079) 5.460 1.325 ( 2.218 -2.949 3.368) 4.996 1.355 ( 0.692 0.750 -2.208) 2.433 1.411 ( 1.864 -2.034 -4.436) 5.224 1.522 ( -1.595 -0.023 6.331) 6.529 1.639 ( -2.704 0.534 -3.781) 4.679 1.662 ( -2.893 -1.131 1.892) 3.637 1.670 ( -2.578 -1.643 2.553) 3.983 1.947 ( -1.286 0.760 5.106) 5.320 1.965 ( -0.846 -0.141 4.744) 4.820 2.124 ( 1.709 6.849 3.023) 7.679 2.186 ( 0.957 2.179 -2.474) 3.433 2.321 ( 5.418 -7.311 4.235) 10.037 2.518 ( 6.076 -2.766 -14.894) 16.322 3.444 ( 4.764 0.526 5.740) 7.478 3.546 ( 4.547 0.697 -4.805) 6.652 3.991 ( -8.689 -0.078 4.395) 9.737 4.074 ( -6.792 0.008 -4.135) 7.951 4.573 ( 0.821 0.704 0.734) 1.307 4.604 ( 0.678 0.065 -2.334) 2.431 ======================= Grid point 561 (178/180) ======================= q-point: (-0.36 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.000 4.571 5.691) 7.299 0.979 ( -0.000 1.605 6.743) 6.931 0.981 ( -0.000 3.964 -4.538) 6.025 1.070 ( 0.000 -0.472 -2.111) 2.163 1.295 ( 0.000 -0.467 4.891) 4.914 1.355 ( -0.000 0.091 3.106) 3.107 1.363 ( 0.000 -0.059 -2.165) 2.166 1.430 ( 0.000 -0.333 -3.257) 3.274 1.507 ( -0.000 0.032 4.548) 4.548 1.613 ( 0.000 -0.273 -5.449) 5.455 1.633 ( 0.000 -1.962 6.103) 6.411 1.656 ( 0.000 -3.273 3.338) 4.675 1.929 ( -0.000 0.744 5.227) 5.280 1.956 ( 0.000 -0.445 3.672) 3.699 2.111 ( -0.000 6.719 3.447) 7.552 2.185 ( -0.000 2.990 -3.125) 4.325 2.420 ( 0.000 -8.617 3.869) 9.446 2.597 ( 0.000 -3.472 -13.673) 14.107 3.509 ( -0.000 0.845 5.241) 5.308 3.600 ( -0.000 1.027 -4.268) 4.390 3.881 ( 0.000 -0.017 5.847) 5.847 3.991 ( -0.000 0.002 -5.458) 5.458 4.577 ( -0.000 1.239 0.825) 1.488 4.611 ( -0.000 0.259 -2.516) 2.530 ======================= Grid point 570 (179/180) ======================= q-point: (-0.55 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.540 0.000 4.465) 4.498 0.953 ( 2.039 -0.000 3.388) 3.954 1.063 ( -3.350 0.000 -0.266) 3.361 1.097 ( -2.813 0.000 -0.708) 2.900 1.287 ( 0.417 -0.000 4.742) 4.760 1.306 ( 4.194 -0.000 3.384) 5.389 1.360 ( 0.247 -0.000 -2.419) 2.431 1.400 ( 2.769 -0.000 -4.497) 5.281 1.522 ( -1.677 0.000 6.421) 6.637 1.644 ( -2.958 0.000 -6.029) 6.716 1.655 ( -3.072 0.000 3.220) 4.450 1.662 ( -2.708 0.000 3.087) 4.107 1.951 ( -1.334 0.000 5.337) 5.501 1.965 ( -0.941 0.000 5.374) 5.455 2.169 ( 0.901 -0.000 0.897) 1.272 2.193 ( 1.649 -0.000 -0.492) 1.721 2.278 ( 5.160 -0.000 5.053) 7.222 2.505 ( 6.170 -0.000 -15.830) 16.990 3.447 ( 4.810 -0.000 5.778) 7.518 3.550 ( 4.571 -0.000 -4.849) 6.664 3.990 ( -8.679 0.000 4.432) 9.745 4.074 ( -6.802 0.000 -4.146) 7.967 4.576 ( 0.916 -0.000 0.526) 1.056 4.605 ( 0.719 -0.000 -2.210) 2.324 ======================= Grid point 572 (180/180) ======================= q-point: (-0.45 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.56e-04 1.56e-04 1.56e-04 1.56e-04 8.58e-05 8.58e-05 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -0.000 1.777 5.452) 5.734 0.990 ( -0.000 0.690 6.167) 6.205 1.007 ( -0.000 1.521 -4.336) 4.596 1.066 ( 0.000 -0.273 -1.095) 1.128 1.291 ( 0.000 -0.226 4.820) 4.825 1.355 ( -0.000 0.052 2.670) 2.671 1.363 ( 0.000 -0.060 -2.564) 2.564 1.428 ( 0.000 -0.136 -3.281) 3.284 1.508 ( -0.000 0.011 4.443) 4.443 1.611 ( 0.000 -0.103 -5.356) 5.357 1.621 ( 0.000 -0.569 4.954) 4.987 1.633 ( 0.000 -1.468 3.881) 4.149 1.935 ( -0.000 0.416 5.668) 5.683 1.952 ( 0.000 -0.244 5.145) 5.151 2.168 ( -0.000 4.569 1.363) 4.768 2.205 ( -0.000 1.030 -2.082) 2.323 2.351 ( 0.000 -5.076 6.026) 7.879 2.573 ( 0.000 -1.424 -15.258) 15.324 3.514 ( -0.000 0.311 5.310) 5.320 3.607 ( -0.000 0.375 -4.319) 4.336 3.881 ( 0.000 -0.006 5.853) 5.853 3.991 ( -0.000 0.001 -5.463) 5.463 4.585 ( -0.000 0.476 0.374) 0.605 4.613 ( -0.000 0.072 -2.259) 2.260 =================== 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 3/26136 10.0 7.601 9.568 10.590 0.000 0.000 -0.000 3/26136 20.0 2.421 2.317 3.675 0.000 0.000 -0.000 3/26136 30.0 1.519 1.320 2.259 0.000 0.000 -0.000 3/26136 40.0 1.135 0.942 1.660 0.000 0.000 -0.000 3/26136 50.0 0.915 0.739 1.321 0.000 0.000 -0.000 3/26136 60.0 0.769 0.611 1.101 0.000 0.000 -0.000 3/26136 70.0 0.664 0.522 0.945 0.000 0.000 -0.000 3/26136 80.0 0.584 0.456 0.828 0.000 0.000 -0.000 3/26136 90.0 0.522 0.405 0.738 0.000 0.000 -0.000 3/26136 100.0 0.472 0.364 0.665 0.000 0.000 -0.000 3/26136 110.0 0.430 0.331 0.605 0.000 0.000 -0.000 3/26136 120.0 0.395 0.304 0.555 0.000 0.000 -0.000 3/26136 130.0 0.366 0.280 0.513 0.000 0.000 -0.000 3/26136 140.0 0.340 0.260 0.477 0.000 0.000 -0.000 3/26136 150.0 0.318 0.243 0.445 0.000 0.000 -0.000 3/26136 160.0 0.299 0.228 0.418 0.000 0.000 -0.000 3/26136 170.0 0.281 0.215 0.393 0.000 0.000 -0.000 3/26136 180.0 0.266 0.203 0.372 0.000 0.000 -0.000 3/26136 190.0 0.252 0.192 0.352 0.000 0.000 -0.000 3/26136 200.0 0.240 0.182 0.335 0.000 0.000 -0.000 3/26136 210.0 0.228 0.174 0.319 0.000 0.000 -0.000 3/26136 220.0 0.218 0.166 0.305 0.000 0.000 -0.000 3/26136 230.0 0.209 0.159 0.291 0.000 0.000 -0.000 3/26136 240.0 0.200 0.152 0.279 0.000 0.000 -0.000 3/26136 250.0 0.192 0.146 0.268 0.000 0.000 -0.000 3/26136 260.0 0.185 0.140 0.258 0.000 0.000 -0.000 3/26136 270.0 0.178 0.135 0.248 0.000 0.000 -0.000 3/26136 280.0 0.172 0.130 0.240 0.000 0.000 -0.000 3/26136 290.0 0.166 0.126 0.231 0.000 0.000 -0.000 3/26136 300.0 0.160 0.122 0.224 0.000 0.000 -0.000 3/26136 310.0 0.155 0.118 0.217 0.000 0.000 -0.000 3/26136 320.0 0.151 0.114 0.210 0.000 0.000 -0.000 3/26136 330.0 0.146 0.111 0.203 0.000 0.000 -0.000 3/26136 340.0 0.142 0.107 0.197 0.000 0.000 -0.000 3/26136 350.0 0.138 0.104 0.192 0.000 0.000 -0.000 3/26136 360.0 0.134 0.102 0.187 0.000 0.000 -0.000 3/26136 370.0 0.130 0.099 0.181 0.000 0.000 -0.000 3/26136 380.0 0.127 0.096 0.177 0.000 0.000 -0.000 3/26136 390.0 0.124 0.094 0.172 0.000 0.000 -0.000 3/26136 400.0 0.121 0.091 0.168 0.000 0.000 -0.000 3/26136 410.0 0.118 0.089 0.164 0.000 0.000 -0.000 3/26136 420.0 0.115 0.087 0.160 0.000 0.000 -0.000 3/26136 430.0 0.112 0.085 0.156 0.000 0.000 -0.000 3/26136 440.0 0.110 0.083 0.153 0.000 0.000 -0.000 3/26136 450.0 0.107 0.081 0.149 0.000 0.000 -0.000 3/26136 460.0 0.105 0.079 0.146 0.000 0.000 -0.000 3/26136 470.0 0.103 0.078 0.143 0.000 0.000 -0.000 3/26136 480.0 0.101 0.076 0.140 0.000 0.000 -0.000 3/26136 490.0 0.098 0.075 0.137 0.000 0.000 -0.000 3/26136 500.0 0.097 0.073 0.134 0.000 0.000 -0.000 3/26136 510.0 0.095 0.072 0.132 0.000 0.000 -0.000 3/26136 520.0 0.093 0.070 0.129 0.000 0.000 -0.000 3/26136 530.0 0.091 0.069 0.127 0.000 0.000 -0.000 3/26136 540.0 0.089 0.068 0.124 0.000 0.000 -0.000 3/26136 550.0 0.088 0.066 0.122 0.000 0.000 -0.000 3/26136 560.0 0.086 0.065 0.120 0.000 0.000 -0.000 3/26136 570.0 0.085 0.064 0.118 0.000 0.000 -0.000 3/26136 580.0 0.083 0.063 0.116 0.000 0.000 -0.000 3/26136 590.0 0.082 0.062 0.114 0.000 0.000 -0.000 3/26136 600.0 0.080 0.061 0.112 0.000 0.000 -0.000 3/26136 610.0 0.079 0.060 0.110 0.000 0.000 -0.000 3/26136 620.0 0.078 0.059 0.108 0.000 0.000 -0.000 3/26136 630.0 0.077 0.058 0.107 0.000 0.000 -0.000 3/26136 640.0 0.075 0.057 0.105 0.000 0.000 -0.000 3/26136 650.0 0.074 0.056 0.103 0.000 0.000 -0.000 3/26136 660.0 0.073 0.055 0.102 0.000 0.000 -0.000 3/26136 670.0 0.072 0.055 0.100 0.000 0.000 -0.000 3/26136 680.0 0.071 0.054 0.099 0.000 0.000 -0.000 3/26136 690.0 0.070 0.053 0.097 0.000 0.000 -0.000 3/26136 700.0 0.069 0.052 0.096 0.000 0.000 -0.000 3/26136 710.0 0.068 0.052 0.095 0.000 0.000 -0.000 3/26136 720.0 0.067 0.051 0.093 0.000 0.000 -0.000 3/26136 730.0 0.066 0.050 0.092 0.000 0.000 -0.000 3/26136 740.0 0.065 0.049 0.091 0.000 0.000 -0.000 3/26136 750.0 0.064 0.049 0.090 0.000 0.000 -0.000 3/26136 760.0 0.064 0.048 0.088 0.000 0.000 -0.000 3/26136 770.0 0.063 0.048 0.087 0.000 0.000 -0.000 3/26136 780.0 0.062 0.047 0.086 0.000 0.000 -0.000 3/26136 790.0 0.061 0.046 0.085 0.000 0.000 -0.000 3/26136 800.0 0.060 0.046 0.084 0.000 0.000 -0.000 3/26136 810.0 0.060 0.045 0.083 0.000 0.000 -0.000 3/26136 820.0 0.059 0.045 0.082 0.000 0.000 -0.000 3/26136 830.0 0.058 0.044 0.081 0.000 0.000 -0.000 3/26136 840.0 0.058 0.044 0.080 0.000 0.000 -0.000 3/26136 850.0 0.057 0.043 0.079 0.000 0.000 -0.000 3/26136 860.0 0.056 0.043 0.078 0.000 0.000 -0.000 3/26136 870.0 0.056 0.042 0.077 0.000 0.000 -0.000 3/26136 880.0 0.055 0.042 0.076 0.000 0.000 -0.000 3/26136 890.0 0.054 0.041 0.076 0.000 0.000 -0.000 3/26136 900.0 0.054 0.041 0.075 0.000 0.000 -0.000 3/26136 910.0 0.053 0.040 0.074 0.000 0.000 -0.000 3/26136 920.0 0.053 0.040 0.073 0.000 0.000 -0.000 3/26136 930.0 0.052 0.039 0.072 0.000 0.000 -0.000 3/26136 940.0 0.051 0.039 0.072 0.000 0.000 -0.000 3/26136 950.0 0.051 0.039 0.071 0.000 0.000 -0.000 3/26136 960.0 0.050 0.038 0.070 0.000 0.000 -0.000 3/26136 970.0 0.050 0.038 0.069 0.000 0.000 -0.000 3/26136 980.0 0.049 0.037 0.069 0.000 0.000 -0.000 3/26136 990.0 0.049 0.037 0.068 0.000 0.000 -0.000 3/26136 1000.0 0.048 0.037 0.067 0.000 0.000 -0.000 3/26136 Thermal conductivity related properties were written into "kappa-m11119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:28:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|