# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4e87b841-e598-44cc-9cb4-b3ebdb0e0d4e/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for CsAgCl2 / Cmcm (63) / materials id 542772](https://mdr.nims.go.jp/datasets/4668ca61-77a8-4d44-b11e-64a572ce8926) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 10:36:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: 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 2.177540670000000 -9.422770285000000 0.000000000000000 b 2.177540670000000 9.422770285000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.523008060000000Atomic positions (fractional): *1 Cs 0.91392710410850 0.08607289589150 0.25000000000000 132.905 2 Cs 0.08607289589150 0.91392710410850 0.75000000000000 132.905 *3 Ag 0.69894631200764 0.30105368799236 0.25000000000000 107.868 4 Ag 0.30105368799236 0.69894631200764 0.75000000000000 107.868 *5 Cl 0.27266223800579 0.72733776199421 0.25000000000000 35.453 6 Cl 0.72733776199421 0.27266223800579 0.75000000000000 35.453 *7 Cl 0.56742804121646 0.43257195878354 0.25000000000000 35.453 8 Cl 0.43257195878354 0.56742804121646 0.75000000000000 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.355081340000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.845540570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.523008060000000Atomic positions (fractional): *1 Cs 0.50000000000000 0.58607289589150 0.25000000000000 132.905 > 1 2 Cs 0.00000000000000 0.91392710410850 0.75000000000000 132.905 > 2 3 Cs 0.00000000000000 0.08607289589150 0.25000000000000 132.905 > 1 4 Cs 0.50000000000000 0.41392710410850 0.75000000000000 132.905 > 2 *5 Ag 0.50000000000000 0.80105368799236 0.25000000000000 107.868 > 3 6 Ag 0.00000000000000 0.69894631200764 0.75000000000000 107.868 > 4 7 Ag 0.00000000000000 0.30105368799236 0.25000000000000 107.868 > 3 8 Ag 0.50000000000000 0.19894631200764 0.75000000000000 107.868 > 4 *9 Cl 0.00000000000000 0.72733776199421 0.25000000000000 35.453 > 5 10 Cl 0.50000000000000 0.77266223800579 0.75000000000000 35.453 > 6 *11 Cl 0.50000000000000 0.93257195878354 0.25000000000000 35.453 > 7 12 Cl 0.00000000000000 0.56742804121646 0.75000000000000 35.453 > 8 13 Cl 0.50000000000000 0.22733776199421 0.25000000000000 35.453 > 5 14 Cl 0.00000000000000 0.27266223800579 0.75000000000000 35.453 > 6 15 Cl 0.00000000000000 0.43257195878354 0.25000000000000 35.453 > 7 16 Cl 0.50000000000000 0.06742804121646 0.75000000000000 35.453 > 8-------------------------------- super cell --------------------------------Lattice vectors: a 13.065244020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.845540570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.569024180000000Atomic positions (fractional): *1 Cs 0.16666666666667 0.58607289589150 0.08333333333333 132.905 > 1 2 Cs 0.50000000000000 0.58607289589150 0.08333333333333 132.905 > 1 3 Cs 0.83333333333333 0.58607289589150 0.08333333333333 132.905 > 1 4 Cs 0.16666666666667 0.58607289589150 0.41666666666667 132.905 > 1 5 Cs 0.50000000000000 0.58607289589150 0.41666666666667 132.905 > 1 6 Cs 0.83333333333333 0.58607289589150 0.41666666666667 132.905 > 1 7 Cs 0.16666666666667 0.58607289589150 0.75000000000000 132.905 > 1 8 Cs 0.50000000000000 0.58607289589150 0.75000000000000 132.905 > 1 9 Cs 0.83333333333333 0.58607289589150 0.75000000000000 132.905 > 1 10 Cs 0.00000000000000 0.91392710410850 0.25000000000000 132.905 > 2 11 Cs 0.33333333333333 0.91392710410850 0.25000000000000 132.905 > 2 12 Cs 0.66666666666667 0.91392710410850 0.25000000000000 132.905 > 2 13 Cs 0.00000000000000 0.91392710410850 0.58333333333333 132.905 > 2 14 Cs 0.33333333333333 0.91392710410850 0.58333333333333 132.905 > 2 15 Cs 0.66666666666667 0.91392710410850 0.58333333333333 132.905 > 2 16 Cs 0.00000000000000 0.91392710410850 0.91666666666667 132.905 > 2 17 Cs 0.33333333333333 0.91392710410850 0.91666666666667 132.905 > 2 18 Cs 0.66666666666667 0.91392710410850 0.91666666666667 132.905 > 2 19 Cs 0.00000000000000 0.08607289589150 0.08333333333333 132.905 > 1 20 Cs 0.33333333333333 0.08607289589150 0.08333333333333 132.905 > 1 21 Cs 0.66666666666667 0.08607289589150 0.08333333333333 132.905 > 1 22 Cs 0.00000000000000 0.08607289589150 0.41666666666667 132.905 > 1 23 Cs 0.33333333333333 0.08607289589150 0.41666666666667 132.905 > 1 24 Cs 0.66666666666667 0.08607289589150 0.41666666666667 132.905 > 1 25 Cs 0.00000000000000 0.08607289589150 0.75000000000000 132.905 > 1 26 Cs 0.33333333333333 0.08607289589150 0.75000000000000 132.905 > 1 27 Cs 0.66666666666667 0.08607289589150 0.75000000000000 132.905 > 1 28 Cs 0.16666666666667 0.41392710410850 0.25000000000000 132.905 > 2 29 Cs 0.50000000000000 0.41392710410850 0.25000000000000 132.905 > 2 30 Cs 0.83333333333333 0.41392710410850 0.25000000000000 132.905 > 2 31 Cs 0.16666666666667 0.41392710410850 0.58333333333333 132.905 > 2 32 Cs 0.50000000000000 0.41392710410850 0.58333333333333 132.905 > 2 33 Cs 0.83333333333333 0.41392710410850 0.58333333333333 132.905 > 2 34 Cs 0.16666666666667 0.41392710410850 0.91666666666667 132.905 > 2 35 Cs 0.50000000000000 0.41392710410850 0.91666666666667 132.905 > 2 36 Cs 0.83333333333333 0.41392710410850 0.91666666666667 132.905 > 2 *37 Ag 0.16666666666667 0.80105368799236 0.08333333333333 107.868 > 3 38 Ag 0.50000000000000 0.80105368799236 0.08333333333333 107.868 > 3 39 Ag 0.83333333333333 0.80105368799236 0.08333333333333 107.868 > 3 40 Ag 0.16666666666667 0.80105368799236 0.41666666666667 107.868 > 3 41 Ag 0.50000000000000 0.80105368799236 0.41666666666667 107.868 > 3 42 Ag 0.83333333333333 0.80105368799236 0.41666666666667 107.868 > 3 43 Ag 0.16666666666667 0.80105368799236 0.75000000000000 107.868 > 3 44 Ag 0.50000000000000 0.80105368799236 0.75000000000000 107.868 > 3 45 Ag 0.83333333333333 0.80105368799236 0.75000000000000 107.868 > 3 46 Ag 0.00000000000000 0.69894631200764 0.25000000000000 107.868 > 4 47 Ag 0.33333333333333 0.69894631200764 0.25000000000000 107.868 > 4 48 Ag 0.66666666666667 0.69894631200764 0.25000000000000 107.868 > 4 49 Ag 0.00000000000000 0.69894631200764 0.58333333333333 107.868 > 4 50 Ag 0.33333333333333 0.69894631200764 0.58333333333333 107.868 > 4 51 Ag 0.66666666666667 0.69894631200764 0.58333333333333 107.868 > 4 52 Ag 0.00000000000000 0.69894631200764 0.91666666666667 107.868 > 4 53 Ag 0.33333333333333 0.69894631200764 0.91666666666667 107.868 > 4 54 Ag 0.66666666666667 0.69894631200764 0.91666666666667 107.868 > 4 55 Ag 0.00000000000000 0.30105368799236 0.08333333333333 107.868 > 3 56 Ag 0.33333333333333 0.30105368799236 0.08333333333333 107.868 > 3 57 Ag 0.66666666666667 0.30105368799236 0.08333333333333 107.868 > 3 58 Ag 0.00000000000000 0.30105368799236 0.41666666666667 107.868 > 3 59 Ag 0.33333333333333 0.30105368799236 0.41666666666667 107.868 > 3 60 Ag 0.66666666666667 0.30105368799236 0.41666666666667 107.868 > 3 61 Ag 0.00000000000000 0.30105368799236 0.75000000000000 107.868 > 3 62 Ag 0.33333333333333 0.30105368799236 0.75000000000000 107.868 > 3 63 Ag 0.66666666666667 0.30105368799236 0.75000000000000 107.868 > 3 64 Ag 0.16666666666667 0.19894631200764 0.25000000000000 107.868 > 4 65 Ag 0.50000000000000 0.19894631200764 0.25000000000000 107.868 > 4 66 Ag 0.83333333333333 0.19894631200764 0.25000000000000 107.868 > 4 67 Ag 0.16666666666667 0.19894631200764 0.58333333333333 107.868 > 4 68 Ag 0.50000000000000 0.19894631200764 0.58333333333333 107.868 > 4 69 Ag 0.83333333333333 0.19894631200764 0.58333333333333 107.868 > 4 70 Ag 0.16666666666667 0.19894631200764 0.91666666666667 107.868 > 4 71 Ag 0.50000000000000 0.19894631200764 0.91666666666667 107.868 > 4 72 Ag 0.83333333333333 0.19894631200764 0.91666666666667 107.868 > 4 *73 Cl 0.00000000000000 0.72733776199421 0.08333333333333 35.453 > 5 74 Cl 0.33333333333333 0.72733776199421 0.08333333333333 35.453 > 5 75 Cl 0.66666666666667 0.72733776199421 0.08333333333333 35.453 > 5 76 Cl 0.00000000000000 0.72733776199421 0.41666666666667 35.453 > 5 77 Cl 0.33333333333333 0.72733776199421 0.41666666666667 35.453 > 5 78 Cl 0.66666666666667 0.72733776199421 0.41666666666667 35.453 > 5 79 Cl 0.00000000000000 0.72733776199421 0.75000000000000 35.453 > 5 80 Cl 0.33333333333333 0.72733776199421 0.75000000000000 35.453 > 5 81 Cl 0.66666666666667 0.72733776199421 0.75000000000000 35.453 > 5 82 Cl 0.16666666666667 0.77266223800579 0.25000000000000 35.453 > 6 83 Cl 0.50000000000000 0.77266223800579 0.25000000000000 35.453 > 6 84 Cl 0.83333333333333 0.77266223800579 0.25000000000000 35.453 > 6 85 Cl 0.16666666666667 0.77266223800579 0.58333333333333 35.453 > 6 86 Cl 0.50000000000000 0.77266223800579 0.58333333333333 35.453 > 6 87 Cl 0.83333333333333 0.77266223800579 0.58333333333333 35.453 > 6 88 Cl 0.16666666666667 0.77266223800579 0.91666666666667 35.453 > 6 89 Cl 0.50000000000000 0.77266223800579 0.91666666666667 35.453 > 6 90 Cl 0.83333333333333 0.77266223800579 0.91666666666667 35.453 > 6 *91 Cl 0.16666666666667 0.93257195878354 0.08333333333333 35.453 > 7 92 Cl 0.50000000000000 0.93257195878354 0.08333333333333 35.453 > 7 93 Cl 0.83333333333333 0.93257195878354 0.08333333333333 35.453 > 7 94 Cl 0.16666666666667 0.93257195878354 0.41666666666667 35.453 > 7 95 Cl 0.50000000000000 0.93257195878354 0.41666666666667 35.453 > 7 96 Cl 0.83333333333333 0.93257195878354 0.41666666666667 35.453 > 7 97 Cl 0.16666666666667 0.93257195878354 0.75000000000000 35.453 > 7 98 Cl 0.50000000000000 0.93257195878354 0.75000000000000 35.453 > 7 99 Cl 0.83333333333333 0.93257195878354 0.75000000000000 35.453 > 7 100 Cl 0.00000000000000 0.56742804121646 0.25000000000000 35.453 > 8 101 Cl 0.33333333333333 0.56742804121646 0.25000000000000 35.453 > 8 102 Cl 0.66666666666667 0.56742804121646 0.25000000000000 35.453 > 8 103 Cl 0.00000000000000 0.56742804121646 0.58333333333333 35.453 > 8 104 Cl 0.33333333333333 0.56742804121646 0.58333333333333 35.453 > 8 105 Cl 0.66666666666667 0.56742804121646 0.58333333333333 35.453 > 8 106 Cl 0.00000000000000 0.56742804121646 0.91666666666667 35.453 > 8 107 Cl 0.33333333333333 0.56742804121646 0.91666666666667 35.453 > 8 108 Cl 0.66666666666667 0.56742804121646 0.91666666666667 35.453 > 8 109 Cl 0.16666666666667 0.22733776199421 0.08333333333333 35.453 > 5 110 Cl 0.50000000000000 0.22733776199421 0.08333333333333 35.453 > 5 111 Cl 0.83333333333333 0.22733776199421 0.08333333333333 35.453 > 5 112 Cl 0.16666666666667 0.22733776199421 0.41666666666667 35.453 > 5 113 Cl 0.50000000000000 0.22733776199421 0.41666666666667 35.453 > 5 114 Cl 0.83333333333333 0.22733776199421 0.41666666666667 35.453 > 5 115 Cl 0.16666666666667 0.22733776199421 0.75000000000000 35.453 > 5 116 Cl 0.50000000000000 0.22733776199421 0.75000000000000 35.453 > 5 117 Cl 0.83333333333333 0.22733776199421 0.75000000000000 35.453 > 5 118 Cl 0.00000000000000 0.27266223800579 0.25000000000000 35.453 > 6 119 Cl 0.33333333333333 0.27266223800579 0.25000000000000 35.453 > 6 120 Cl 0.66666666666667 0.27266223800579 0.25000000000000 35.453 > 6 121 Cl 0.00000000000000 0.27266223800579 0.58333333333333 35.453 > 6 122 Cl 0.33333333333333 0.27266223800579 0.58333333333333 35.453 > 6 123 Cl 0.66666666666667 0.27266223800579 0.58333333333333 35.453 > 6 124 Cl 0.00000000000000 0.27266223800579 0.91666666666667 35.453 > 6 125 Cl 0.33333333333333 0.27266223800579 0.91666666666667 35.453 > 6 126 Cl 0.66666666666667 0.27266223800579 0.91666666666667 35.453 > 6 127 Cl 0.00000000000000 0.43257195878354 0.08333333333333 35.453 > 7 128 Cl 0.33333333333333 0.43257195878354 0.08333333333333 35.453 > 7 129 Cl 0.66666666666667 0.43257195878354 0.08333333333333 35.453 > 7 130 Cl 0.00000000000000 0.43257195878354 0.41666666666667 35.453 > 7 131 Cl 0.33333333333333 0.43257195878354 0.41666666666667 35.453 > 7 132 Cl 0.66666666666667 0.43257195878354 0.41666666666667 35.453 > 7 133 Cl 0.00000000000000 0.43257195878354 0.75000000000000 35.453 > 7 134 Cl 0.33333333333333 0.43257195878354 0.75000000000000 35.453 > 7 135 Cl 0.66666666666667 0.43257195878354 0.75000000000000 35.453 > 7 136 Cl 0.16666666666667 0.06742804121646 0.25000000000000 35.453 > 8 137 Cl 0.50000000000000 0.06742804121646 0.25000000000000 35.453 > 8 138 Cl 0.83333333333333 0.06742804121646 0.25000000000000 35.453 > 8 139 Cl 0.16666666666667 0.06742804121646 0.58333333333333 35.453 > 8 140 Cl 0.50000000000000 0.06742804121646 0.58333333333333 35.453 > 8 141 Cl 0.83333333333333 0.06742804121646 0.58333333333333 35.453 > 8 142 Cl 0.16666666666667 0.06742804121646 0.91666666666667 35.453 > 8 143 Cl 0.50000000000000 0.06742804121646 0.91666666666667 35.453 > 8 144 Cl 0.83333333333333 0.06742804121646 0.91666666666667 35.453 > 8----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.5066804 0.0000000 0.0000000 0.0000000 3.4663696 0.0000000 0.0000000 0.0000000 3.5996585-------------------------- Born effective charges -------------------------- 1 Cs 1.3973050 0.0000000 0.0000000 0.0000000 1.4287719 0.0000000 0.0000000 0.0000000 1.3438280 2 Cs 1.3973050 0.0000000 0.0000000 0.0000000 1.4287719 0.0000000 0.0000000 0.0000000 1.3438280 3 Ag 1.1852634 0.0000000 0.0000000 0.0000000 1.0712767 0.0000000 0.0000000 0.0000000 1.2622036 4 Ag 1.1852634 0.0000000 0.0000000 0.0000000 1.0712767 0.0000000 0.0000000 0.0000000 1.2622036 5 Cl -1.4902991 0.0000000 0.0000000 0.0000000 -1.0159992 0.0000000 0.0000000 0.0000000 -1.4348601 6 Cl -1.4902991 0.0000000 0.0000000 0.0000000 -1.0159992 0.0000000 0.0000000 0.0000000 -1.4348601 7 Cl -1.0922693 0.0000000 0.0000000 0.0000000 -1.4840494 0.0000000 0.0000000 0.0000000 -1.1711715 8 Cl -1.0922693 0.0000000 0.0000000 0.0000000 -1.4840494 0.0000000 0.0000000 0.0000000 -1.1711715----------------------------------------------------------------------------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: 432/432Permutation basis: 6432/6432Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 800Number of blocks in projector: 800Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 64Use 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 / 144Time (Solver_compr_matrix_reshape): 0.008Solver_block: 100 / 160 - Time: 0.995Solver_block: 160 / 160 - Time: 0.634Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.650--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432Permutation basis: 6432/6432Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 800Number of blocks in projector: 800Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 160Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 64Use 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: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 10:36:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:37:00]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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 2.177540670000000 -9.422770285000000 0.000000000000000 b 2.177540670000000 9.422770285000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.523008060000000Atomic positions (fractional): 1 Cs 0.91392710410850 0.08607289589150 0.25000000000000 132.905 2 Cs 0.08607289589150 0.91392710410850 0.75000000000000 132.905 3 Ag 0.69894631200764 0.30105368799236 0.25000000000000 107.868 4 Ag 0.30105368799236 0.69894631200764 0.75000000000000 107.868 5 Cl 0.27266223800579 0.72733776199421 0.25000000000000 35.453 6 Cl 0.72733776199421 0.27266223800579 0.75000000000000 35.453 7 Cl 0.56742804121646 0.43257195878354 0.25000000000000 35.453 8 Cl 0.43257195878354 0.56742804121646 0.75000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 13.065244020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.845540570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.569024180000000Atomic positions (fractional): 1 Cs 0.16666666666667 0.58607289589150 0.08333333333333 132.905 > 1 2 Cs 0.50000000000000 0.58607289589150 0.08333333333333 132.905 > 1 3 Cs 0.83333333333333 0.58607289589150 0.08333333333333 132.905 > 1 4 Cs 0.16666666666667 0.58607289589150 0.41666666666667 132.905 > 1 5 Cs 0.50000000000000 0.58607289589150 0.41666666666667 132.905 > 1 6 Cs 0.83333333333333 0.58607289589150 0.41666666666667 132.905 > 1 7 Cs 0.16666666666667 0.58607289589150 0.75000000000000 132.905 > 1 8 Cs 0.50000000000000 0.58607289589150 0.75000000000000 132.905 > 1 9 Cs 0.83333333333333 0.58607289589150 0.75000000000000 132.905 > 1 10 Cs 0.00000000000000 0.91392710410850 0.25000000000000 132.905 > 10 11 Cs 0.33333333333333 0.91392710410850 0.25000000000000 132.905 > 10 12 Cs 0.66666666666667 0.91392710410850 0.25000000000000 132.905 > 10 13 Cs 0.00000000000000 0.91392710410850 0.58333333333333 132.905 > 10 14 Cs 0.33333333333333 0.91392710410850 0.58333333333333 132.905 > 10 15 Cs 0.66666666666667 0.91392710410850 0.58333333333333 132.905 > 10 16 Cs 0.00000000000000 0.91392710410850 0.91666666666667 132.905 > 10 17 Cs 0.33333333333333 0.91392710410850 0.91666666666667 132.905 > 10 18 Cs 0.66666666666667 0.91392710410850 0.91666666666667 132.905 > 10 19 Cs 0.00000000000000 0.08607289589150 0.08333333333333 132.905 > 1 20 Cs 0.33333333333333 0.08607289589150 0.08333333333333 132.905 > 1 21 Cs 0.66666666666667 0.08607289589150 0.08333333333333 132.905 > 1 22 Cs 0.00000000000000 0.08607289589150 0.41666666666667 132.905 > 1 23 Cs 0.33333333333333 0.08607289589150 0.41666666666667 132.905 > 1 24 Cs 0.66666666666667 0.08607289589150 0.41666666666667 132.905 > 1 25 Cs 0.00000000000000 0.08607289589150 0.75000000000000 132.905 > 1 26 Cs 0.33333333333333 0.08607289589150 0.75000000000000 132.905 > 1 27 Cs 0.66666666666667 0.08607289589150 0.75000000000000 132.905 > 1 28 Cs 0.16666666666667 0.41392710410850 0.25000000000000 132.905 > 10 29 Cs 0.50000000000000 0.41392710410850 0.25000000000000 132.905 > 10 30 Cs 0.83333333333333 0.41392710410850 0.25000000000000 132.905 > 10 31 Cs 0.16666666666667 0.41392710410850 0.58333333333333 132.905 > 10 32 Cs 0.50000000000000 0.41392710410850 0.58333333333333 132.905 > 10 33 Cs 0.83333333333333 0.41392710410850 0.58333333333333 132.905 > 10 34 Cs 0.16666666666667 0.41392710410850 0.91666666666667 132.905 > 10 35 Cs 0.50000000000000 0.41392710410850 0.91666666666667 132.905 > 10 36 Cs 0.83333333333333 0.41392710410850 0.91666666666667 132.905 > 10 37 Ag 0.16666666666667 0.80105368799236 0.08333333333333 107.868 > 37 38 Ag 0.50000000000000 0.80105368799236 0.08333333333333 107.868 > 37 39 Ag 0.83333333333333 0.80105368799236 0.08333333333333 107.868 > 37 40 Ag 0.16666666666667 0.80105368799236 0.41666666666667 107.868 > 37 41 Ag 0.50000000000000 0.80105368799236 0.41666666666667 107.868 > 37 42 Ag 0.83333333333333 0.80105368799236 0.41666666666667 107.868 > 37 43 Ag 0.16666666666667 0.80105368799236 0.75000000000000 107.868 > 37 44 Ag 0.50000000000000 0.80105368799236 0.75000000000000 107.868 > 37 45 Ag 0.83333333333333 0.80105368799236 0.75000000000000 107.868 > 37 46 Ag 0.00000000000000 0.69894631200764 0.25000000000000 107.868 > 46 47 Ag 0.33333333333333 0.69894631200764 0.25000000000000 107.868 > 46 48 Ag 0.66666666666667 0.69894631200764 0.25000000000000 107.868 > 46 49 Ag 0.00000000000000 0.69894631200764 0.58333333333333 107.868 > 46 50 Ag 0.33333333333333 0.69894631200764 0.58333333333333 107.868 > 46 51 Ag 0.66666666666667 0.69894631200764 0.58333333333333 107.868 > 46 52 Ag 0.00000000000000 0.69894631200764 0.91666666666667 107.868 > 46 53 Ag 0.33333333333333 0.69894631200764 0.91666666666667 107.868 > 46 54 Ag 0.66666666666667 0.69894631200764 0.91666666666667 107.868 > 46 55 Ag 0.00000000000000 0.30105368799236 0.08333333333333 107.868 > 37 56 Ag 0.33333333333333 0.30105368799236 0.08333333333333 107.868 > 37 57 Ag 0.66666666666667 0.30105368799236 0.08333333333333 107.868 > 37 58 Ag 0.00000000000000 0.30105368799236 0.41666666666667 107.868 > 37 59 Ag 0.33333333333333 0.30105368799236 0.41666666666667 107.868 > 37 60 Ag 0.66666666666667 0.30105368799236 0.41666666666667 107.868 > 37 61 Ag 0.00000000000000 0.30105368799236 0.75000000000000 107.868 > 37 62 Ag 0.33333333333333 0.30105368799236 0.75000000000000 107.868 > 37 63 Ag 0.66666666666667 0.30105368799236 0.75000000000000 107.868 > 37 64 Ag 0.16666666666667 0.19894631200764 0.25000000000000 107.868 > 46 65 Ag 0.50000000000000 0.19894631200764 0.25000000000000 107.868 > 46 66 Ag 0.83333333333333 0.19894631200764 0.25000000000000 107.868 > 46 67 Ag 0.16666666666667 0.19894631200764 0.58333333333333 107.868 > 46 68 Ag 0.50000000000000 0.19894631200764 0.58333333333333 107.868 > 46 69 Ag 0.83333333333333 0.19894631200764 0.58333333333333 107.868 > 46 70 Ag 0.16666666666667 0.19894631200764 0.91666666666667 107.868 > 46 71 Ag 0.50000000000000 0.19894631200764 0.91666666666667 107.868 > 46 72 Ag 0.83333333333333 0.19894631200764 0.91666666666667 107.868 > 46 73 Cl 0.00000000000000 0.72733776199421 0.08333333333333 35.453 > 73 74 Cl 0.33333333333333 0.72733776199421 0.08333333333333 35.453 > 73 75 Cl 0.66666666666667 0.72733776199421 0.08333333333333 35.453 > 73 76 Cl 0.00000000000000 0.72733776199421 0.41666666666667 35.453 > 73 77 Cl 0.33333333333333 0.72733776199421 0.41666666666667 35.453 > 73 78 Cl 0.66666666666667 0.72733776199421 0.41666666666667 35.453 > 73 79 Cl 0.00000000000000 0.72733776199421 0.75000000000000 35.453 > 73 80 Cl 0.33333333333333 0.72733776199421 0.75000000000000 35.453 > 73 81 Cl 0.66666666666667 0.72733776199421 0.75000000000000 35.453 > 73 82 Cl 0.16666666666667 0.77266223800579 0.25000000000000 35.453 > 82 83 Cl 0.50000000000000 0.77266223800579 0.25000000000000 35.453 > 82 84 Cl 0.83333333333333 0.77266223800579 0.25000000000000 35.453 > 82 85 Cl 0.16666666666667 0.77266223800579 0.58333333333333 35.453 > 82 86 Cl 0.50000000000000 0.77266223800579 0.58333333333333 35.453 > 82 87 Cl 0.83333333333333 0.77266223800579 0.58333333333333 35.453 > 82 88 Cl 0.16666666666667 0.77266223800579 0.91666666666667 35.453 > 82 89 Cl 0.50000000000000 0.77266223800579 0.91666666666667 35.453 > 82 90 Cl 0.83333333333333 0.77266223800579 0.91666666666667 35.453 > 82 91 Cl 0.16666666666667 0.93257195878354 0.08333333333333 35.453 > 91 92 Cl 0.50000000000000 0.93257195878354 0.08333333333333 35.453 > 91 93 Cl 0.83333333333333 0.93257195878354 0.08333333333333 35.453 > 91 94 Cl 0.16666666666667 0.93257195878354 0.41666666666667 35.453 > 91 95 Cl 0.50000000000000 0.93257195878354 0.41666666666667 35.453 > 91 96 Cl 0.83333333333333 0.93257195878354 0.41666666666667 35.453 > 91 97 Cl 0.16666666666667 0.93257195878354 0.75000000000000 35.453 > 91 98 Cl 0.50000000000000 0.93257195878354 0.75000000000000 35.453 > 91 99 Cl 0.83333333333333 0.93257195878354 0.75000000000000 35.453 > 91 100 Cl 0.00000000000000 0.56742804121646 0.25000000000000 35.453 > 100 101 Cl 0.33333333333333 0.56742804121646 0.25000000000000 35.453 > 100 102 Cl 0.66666666666667 0.56742804121646 0.25000000000000 35.453 > 100 103 Cl 0.00000000000000 0.56742804121646 0.58333333333333 35.453 > 100 104 Cl 0.33333333333333 0.56742804121646 0.58333333333333 35.453 > 100 105 Cl 0.66666666666667 0.56742804121646 0.58333333333333 35.453 > 100 106 Cl 0.00000000000000 0.56742804121646 0.91666666666667 35.453 > 100 107 Cl 0.33333333333333 0.56742804121646 0.91666666666667 35.453 > 100 108 Cl 0.66666666666667 0.56742804121646 0.91666666666667 35.453 > 100 109 Cl 0.16666666666667 0.22733776199421 0.08333333333333 35.453 > 73 110 Cl 0.50000000000000 0.22733776199421 0.08333333333333 35.453 > 73 111 Cl 0.83333333333333 0.22733776199421 0.08333333333333 35.453 > 73 112 Cl 0.16666666666667 0.22733776199421 0.41666666666667 35.453 > 73 113 Cl 0.50000000000000 0.22733776199421 0.41666666666667 35.453 > 73 114 Cl 0.83333333333333 0.22733776199421 0.41666666666667 35.453 > 73 115 Cl 0.16666666666667 0.22733776199421 0.75000000000000 35.453 > 73 116 Cl 0.50000000000000 0.22733776199421 0.75000000000000 35.453 > 73 117 Cl 0.83333333333333 0.22733776199421 0.75000000000000 35.453 > 73 118 Cl 0.00000000000000 0.27266223800579 0.25000000000000 35.453 > 82 119 Cl 0.33333333333333 0.27266223800579 0.25000000000000 35.453 > 82 120 Cl 0.66666666666667 0.27266223800579 0.25000000000000 35.453 > 82 121 Cl 0.00000000000000 0.27266223800579 0.58333333333333 35.453 > 82 122 Cl 0.33333333333333 0.27266223800579 0.58333333333333 35.453 > 82 123 Cl 0.66666666666667 0.27266223800579 0.58333333333333 35.453 > 82 124 Cl 0.00000000000000 0.27266223800579 0.91666666666667 35.453 > 82 125 Cl 0.33333333333333 0.27266223800579 0.91666666666667 35.453 > 82 126 Cl 0.66666666666667 0.27266223800579 0.91666666666667 35.453 > 82 127 Cl 0.00000000000000 0.43257195878354 0.08333333333333 35.453 > 91 128 Cl 0.33333333333333 0.43257195878354 0.08333333333333 35.453 > 91 129 Cl 0.66666666666667 0.43257195878354 0.08333333333333 35.453 > 91 130 Cl 0.00000000000000 0.43257195878354 0.41666666666667 35.453 > 91 131 Cl 0.33333333333333 0.43257195878354 0.41666666666667 35.453 > 91 132 Cl 0.66666666666667 0.43257195878354 0.41666666666667 35.453 > 91 133 Cl 0.00000000000000 0.43257195878354 0.75000000000000 35.453 > 91 134 Cl 0.33333333333333 0.43257195878354 0.75000000000000 35.453 > 91 135 Cl 0.66666666666667 0.43257195878354 0.75000000000000 35.453 > 91 136 Cl 0.16666666666667 0.06742804121646 0.25000000000000 35.453 > 100 137 Cl 0.50000000000000 0.06742804121646 0.25000000000000 35.453 > 100 138 Cl 0.83333333333333 0.06742804121646 0.25000000000000 35.453 > 100 139 Cl 0.16666666666667 0.06742804121646 0.58333333333333 35.453 > 100 140 Cl 0.50000000000000 0.06742804121646 0.58333333333333 35.453 > 100 141 Cl 0.83333333333333 0.06742804121646 0.58333333333333 35.453 > 100 142 Cl 0.16666666666667 0.06742804121646 0.91666666666667 35.453 > 100 143 Cl 0.50000000000000 0.06742804121646 0.91666666666667 35.453 > 100 144 Cl 0.83333333333333 0.06742804121646 0.91666666666667 35.453 > 100----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.5066804 0.0000000 0.0000000 0.0000000 3.4663696 0.0000000 0.0000000 0.0000000 3.5996585-------------------------- Born effective charges -------------------------- 1 Cs 1.3973050 0.0000000 0.0000000 0.0000000 1.4287719 0.0000000 0.0000000 0.0000000 1.3438280 2 Cs 1.3973050 0.0000000 0.0000000 0.0000000 1.4287719 0.0000000 0.0000000 0.0000000 1.3438280 3 Ag 1.1852634 0.0000000 0.0000000 0.0000000 1.0712767 0.0000000 0.0000000 0.0000000 1.2622036 4 Ag 1.1852634 0.0000000 0.0000000 0.0000000 1.0712767 0.0000000 0.0000000 0.0000000 1.2622036 5 Cl -1.4902991 0.0000000 0.0000000 0.0000000 -1.0159992 0.0000000 0.0000000 0.0000000 -1.4348601 6 Cl -1.4902991 0.0000000 0.0000000 0.0000000 -1.0159992 0.0000000 0.0000000 0.0000000 -1.4348601 7 Cl -1.0922693 0.0000000 0.0000000 0.0000000 -1.4840494 0.0000000 0.0000000 0.0000000 -1.1711715 8 Cl -1.0922693 0.0000000 0.0000000 0.0000000 -1.4840494 0.0000000 0.0000000 0.0000000 -1.1711715----------------------------------------------------------------------------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[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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[ 91, 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:37:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 10:37:14]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal 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 2.177540670000000 -9.422770285000000 0.000000000000000 b 2.177540670000000 9.422770285000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.523008060000000Atomic positions (fractional): 1 Cs 0.91392710410850 0.08607289589150 0.25000000000000 132.905 2 Cs 0.08607289589150 0.91392710410850 0.75000000000000 132.905 3 Ag 0.69894631200764 0.30105368799236 0.25000000000000 107.868 4 Ag 0.30105368799236 0.69894631200764 0.75000000000000 107.868 5 Cl 0.27266223800579 0.72733776199421 0.25000000000000 35.453 6 Cl 0.72733776199421 0.27266223800579 0.75000000000000 35.453 7 Cl 0.56742804121646 0.43257195878354 0.25000000000000 35.453 8 Cl 0.43257195878354 0.56742804121646 0.75000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 13.065244020000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.845540570000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.569024180000000Atomic positions (fractional): 1 Cs 0.16666666666667 0.58607289589150 0.08333333333333 132.905 > 1 2 Cs 0.50000000000000 0.58607289589150 0.08333333333333 132.905 > 1 3 Cs 0.83333333333333 0.58607289589150 0.08333333333333 132.905 > 1 4 Cs 0.16666666666667 0.58607289589150 0.41666666666667 132.905 > 1 5 Cs 0.50000000000000 0.58607289589150 0.41666666666667 132.905 > 1 6 Cs 0.83333333333333 0.58607289589150 0.41666666666667 132.905 > 1 7 Cs 0.16666666666667 0.58607289589150 0.75000000000000 132.905 > 1 8 Cs 0.50000000000000 0.58607289589150 0.75000000000000 132.905 > 1 9 Cs 0.83333333333333 0.58607289589150 0.75000000000000 132.905 > 1 10 Cs 0.00000000000000 0.91392710410850 0.25000000000000 132.905 > 10 11 Cs 0.33333333333333 0.91392710410850 0.25000000000000 132.905 > 10 12 Cs 0.66666666666667 0.91392710410850 0.25000000000000 132.905 > 10 13 Cs 0.00000000000000 0.91392710410850 0.58333333333333 132.905 > 10 14 Cs 0.33333333333333 0.91392710410850 0.58333333333333 132.905 > 10 15 Cs 0.66666666666667 0.91392710410850 0.58333333333333 132.905 > 10 16 Cs 0.00000000000000 0.91392710410850 0.91666666666667 132.905 > 10 17 Cs 0.33333333333333 0.91392710410850 0.91666666666667 132.905 > 10 18 Cs 0.66666666666667 0.91392710410850 0.91666666666667 132.905 > 10 19 Cs 0.00000000000000 0.08607289589150 0.08333333333333 132.905 > 1 20 Cs 0.33333333333333 0.08607289589150 0.08333333333333 132.905 > 1 21 Cs 0.66666666666667 0.08607289589150 0.08333333333333 132.905 > 1 22 Cs 0.00000000000000 0.08607289589150 0.41666666666667 132.905 > 1 23 Cs 0.33333333333333 0.08607289589150 0.41666666666667 132.905 > 1 24 Cs 0.66666666666667 0.08607289589150 0.41666666666667 132.905 > 1 25 Cs 0.00000000000000 0.08607289589150 0.75000000000000 132.905 > 1 26 Cs 0.33333333333333 0.08607289589150 0.75000000000000 132.905 > 1 27 Cs 0.66666666666667 0.08607289589150 0.75000000000000 132.905 > 1 28 Cs 0.16666666666667 0.41392710410850 0.25000000000000 132.905 > 10 29 Cs 0.50000000000000 0.41392710410850 0.25000000000000 132.905 > 10 30 Cs 0.83333333333333 0.41392710410850 0.25000000000000 132.905 > 10 31 Cs 0.16666666666667 0.41392710410850 0.58333333333333 132.905 > 10 32 Cs 0.50000000000000 0.41392710410850 0.58333333333333 132.905 > 10 33 Cs 0.83333333333333 0.41392710410850 0.58333333333333 132.905 > 10 34 Cs 0.16666666666667 0.41392710410850 0.91666666666667 132.905 > 10 35 Cs 0.50000000000000 0.41392710410850 0.91666666666667 132.905 > 10 36 Cs 0.83333333333333 0.41392710410850 0.91666666666667 132.905 > 10 37 Ag 0.16666666666667 0.80105368799236 0.08333333333333 107.868 > 37 38 Ag 0.50000000000000 0.80105368799236 0.08333333333333 107.868 > 37 39 Ag 0.83333333333333 0.80105368799236 0.08333333333333 107.868 > 37 40 Ag 0.16666666666667 0.80105368799236 0.41666666666667 107.868 > 37 41 Ag 0.50000000000000 0.80105368799236 0.41666666666667 107.868 > 37 42 Ag 0.83333333333333 0.80105368799236 0.41666666666667 107.868 > 37 43 Ag 0.16666666666667 0.80105368799236 0.75000000000000 107.868 > 37 44 Ag 0.50000000000000 0.80105368799236 0.75000000000000 107.868 > 37 45 Ag 0.83333333333333 0.80105368799236 0.75000000000000 107.868 > 37 46 Ag 0.00000000000000 0.69894631200764 0.25000000000000 107.868 > 46 47 Ag 0.33333333333333 0.69894631200764 0.25000000000000 107.868 > 46 48 Ag 0.66666666666667 0.69894631200764 0.25000000000000 107.868 > 46 49 Ag 0.00000000000000 0.69894631200764 0.58333333333333 107.868 > 46 50 Ag 0.33333333333333 0.69894631200764 0.58333333333333 107.868 > 46 51 Ag 0.66666666666667 0.69894631200764 0.58333333333333 107.868 > 46 52 Ag 0.00000000000000 0.69894631200764 0.91666666666667 107.868 > 46 53 Ag 0.33333333333333 0.69894631200764 0.91666666666667 107.868 > 46 54 Ag 0.66666666666667 0.69894631200764 0.91666666666667 107.868 > 46 55 Ag 0.00000000000000 0.30105368799236 0.08333333333333 107.868 > 37 56 Ag 0.33333333333333 0.30105368799236 0.08333333333333 107.868 > 37 57 Ag 0.66666666666667 0.30105368799236 0.08333333333333 107.868 > 37 58 Ag 0.00000000000000 0.30105368799236 0.41666666666667 107.868 > 37 59 Ag 0.33333333333333 0.30105368799236 0.41666666666667 107.868 > 37 60 Ag 0.66666666666667 0.30105368799236 0.41666666666667 107.868 > 37 61 Ag 0.00000000000000 0.30105368799236 0.75000000000000 107.868 > 37 62 Ag 0.33333333333333 0.30105368799236 0.75000000000000 107.868 > 37 63 Ag 0.66666666666667 0.30105368799236 0.75000000000000 107.868 > 37 64 Ag 0.16666666666667 0.19894631200764 0.25000000000000 107.868 > 46 65 Ag 0.50000000000000 0.19894631200764 0.25000000000000 107.868 > 46 66 Ag 0.83333333333333 0.19894631200764 0.25000000000000 107.868 > 46 67 Ag 0.16666666666667 0.19894631200764 0.58333333333333 107.868 > 46 68 Ag 0.50000000000000 0.19894631200764 0.58333333333333 107.868 > 46 69 Ag 0.83333333333333 0.19894631200764 0.58333333333333 107.868 > 46 70 Ag 0.16666666666667 0.19894631200764 0.91666666666667 107.868 > 46 71 Ag 0.50000000000000 0.19894631200764 0.91666666666667 107.868 > 46 72 Ag 0.83333333333333 0.19894631200764 0.91666666666667 107.868 > 46 73 Cl 0.00000000000000 0.72733776199421 0.08333333333333 35.453 > 73 74 Cl 0.33333333333333 0.72733776199421 0.08333333333333 35.453 > 73 75 Cl 0.66666666666667 0.72733776199421 0.08333333333333 35.453 > 73 76 Cl 0.00000000000000 0.72733776199421 0.41666666666667 35.453 > 73 77 Cl 0.33333333333333 0.72733776199421 0.41666666666667 35.453 > 73 78 Cl 0.66666666666667 0.72733776199421 0.41666666666667 35.453 > 73 79 Cl 0.00000000000000 0.72733776199421 0.75000000000000 35.453 > 73 80 Cl 0.33333333333333 0.72733776199421 0.75000000000000 35.453 > 73 81 Cl 0.66666666666667 0.72733776199421 0.75000000000000 35.453 > 73 82 Cl 0.16666666666667 0.77266223800579 0.25000000000000 35.453 > 82 83 Cl 0.50000000000000 0.77266223800579 0.25000000000000 35.453 > 82 84 Cl 0.83333333333333 0.77266223800579 0.25000000000000 35.453 > 82 85 Cl 0.16666666666667 0.77266223800579 0.58333333333333 35.453 > 82 86 Cl 0.50000000000000 0.77266223800579 0.58333333333333 35.453 > 82 87 Cl 0.83333333333333 0.77266223800579 0.58333333333333 35.453 > 82 88 Cl 0.16666666666667 0.77266223800579 0.91666666666667 35.453 > 82 89 Cl 0.50000000000000 0.77266223800579 0.91666666666667 35.453 > 82 90 Cl 0.83333333333333 0.77266223800579 0.91666666666667 35.453 > 82 91 Cl 0.16666666666667 0.93257195878354 0.08333333333333 35.453 > 91 92 Cl 0.50000000000000 0.93257195878354 0.08333333333333 35.453 > 91 93 Cl 0.83333333333333 0.93257195878354 0.08333333333333 35.453 > 91 94 Cl 0.16666666666667 0.93257195878354 0.41666666666667 35.453 > 91 95 Cl 0.50000000000000 0.93257195878354 0.41666666666667 35.453 > 91 96 Cl 0.83333333333333 0.93257195878354 0.41666666666667 35.453 > 91 97 Cl 0.16666666666667 0.93257195878354 0.75000000000000 35.453 > 91 98 Cl 0.50000000000000 0.93257195878354 0.75000000000000 35.453 > 91 99 Cl 0.83333333333333 0.93257195878354 0.75000000000000 35.453 > 91 100 Cl 0.00000000000000 0.56742804121646 0.25000000000000 35.453 > 100 101 Cl 0.33333333333333 0.56742804121646 0.25000000000000 35.453 > 100 102 Cl 0.66666666666667 0.56742804121646 0.25000000000000 35.453 > 100 103 Cl 0.00000000000000 0.56742804121646 0.58333333333333 35.453 > 100 104 Cl 0.33333333333333 0.56742804121646 0.58333333333333 35.453 > 100 105 Cl 0.66666666666667 0.56742804121646 0.58333333333333 35.453 > 100 106 Cl 0.00000000000000 0.56742804121646 0.91666666666667 35.453 > 100 107 Cl 0.33333333333333 0.56742804121646 0.91666666666667 35.453 > 100 108 Cl 0.66666666666667 0.56742804121646 0.91666666666667 35.453 > 100 109 Cl 0.16666666666667 0.22733776199421 0.08333333333333 35.453 > 73 110 Cl 0.50000000000000 0.22733776199421 0.08333333333333 35.453 > 73 111 Cl 0.83333333333333 0.22733776199421 0.08333333333333 35.453 > 73 112 Cl 0.16666666666667 0.22733776199421 0.41666666666667 35.453 > 73 113 Cl 0.50000000000000 0.22733776199421 0.41666666666667 35.453 > 73 114 Cl 0.83333333333333 0.22733776199421 0.41666666666667 35.453 > 73 115 Cl 0.16666666666667 0.22733776199421 0.75000000000000 35.453 > 73 116 Cl 0.50000000000000 0.22733776199421 0.75000000000000 35.453 > 73 117 Cl 0.83333333333333 0.22733776199421 0.75000000000000 35.453 > 73 118 Cl 0.00000000000000 0.27266223800579 0.25000000000000 35.453 > 82 119 Cl 0.33333333333333 0.27266223800579 0.25000000000000 35.453 > 82 120 Cl 0.66666666666667 0.27266223800579 0.25000000000000 35.453 > 82 121 Cl 0.00000000000000 0.27266223800579 0.58333333333333 35.453 > 82 122 Cl 0.33333333333333 0.27266223800579 0.58333333333333 35.453 > 82 123 Cl 0.66666666666667 0.27266223800579 0.58333333333333 35.453 > 82 124 Cl 0.00000000000000 0.27266223800579 0.91666666666667 35.453 > 82 125 Cl 0.33333333333333 0.27266223800579 0.91666666666667 35.453 > 82 126 Cl 0.66666666666667 0.27266223800579 0.91666666666667 35.453 > 82 127 Cl 0.00000000000000 0.43257195878354 0.08333333333333 35.453 > 91 128 Cl 0.33333333333333 0.43257195878354 0.08333333333333 35.453 > 91 129 Cl 0.66666666666667 0.43257195878354 0.08333333333333 35.453 > 91 130 Cl 0.00000000000000 0.43257195878354 0.41666666666667 35.453 > 91 131 Cl 0.33333333333333 0.43257195878354 0.41666666666667 35.453 > 91 132 Cl 0.66666666666667 0.43257195878354 0.41666666666667 35.453 > 91 133 Cl 0.00000000000000 0.43257195878354 0.75000000000000 35.453 > 91 134 Cl 0.33333333333333 0.43257195878354 0.75000000000000 35.453 > 91 135 Cl 0.66666666666667 0.43257195878354 0.75000000000000 35.453 > 91 136 Cl 0.16666666666667 0.06742804121646 0.25000000000000 35.453 > 100 137 Cl 0.50000000000000 0.06742804121646 0.25000000000000 35.453 > 100 138 Cl 0.83333333333333 0.06742804121646 0.25000000000000 35.453 > 100 139 Cl 0.16666666666667 0.06742804121646 0.58333333333333 35.453 > 100 140 Cl 0.50000000000000 0.06742804121646 0.58333333333333 35.453 > 100 141 Cl 0.83333333333333 0.06742804121646 0.58333333333333 35.453 > 100 142 Cl 0.16666666666667 0.06742804121646 0.91666666666667 35.453 > 100 143 Cl 0.50000000000000 0.06742804121646 0.91666666666667 35.453 > 100 144 Cl 0.83333333333333 0.06742804121646 0.91666666666667 35.453 > 100----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.5066804 0.0000000 0.0000000 0.0000000 3.4663696 0.0000000 0.0000000 0.0000000 3.5996585-------------------------- Born effective charges -------------------------- 1 Cs 1.3973050 0.0000000 0.0000000 0.0000000 1.4287719 0.0000000 0.0000000 0.0000000 1.3438280 2 Cs 1.3973050 0.0000000 0.0000000 0.0000000 1.4287719 0.0000000 0.0000000 0.0000000 1.3438280 3 Ag 1.1852634 0.0000000 0.0000000 0.0000000 1.0712767 0.0000000 0.0000000 0.0000000 1.2622036 4 Ag 1.1852634 0.0000000 0.0000000 0.0000000 1.0712767 0.0000000 0.0000000 0.0000000 1.2622036 5 Cl -1.4902991 0.0000000 0.0000000 0.0000000 -1.0159992 0.0000000 0.0000000 0.0000000 -1.4348601 6 Cl -1.4902991 0.0000000 0.0000000 0.0000000 -1.0159992 0.0000000 0.0000000 0.0000000 -1.4348601 7 Cl -1.0922693 0.0000000 0.0000000 0.0000000 -1.4840494 0.0000000 0.0000000 0.0000000 -1.1711715 8 Cl -1.0922693 0.0000000 0.0000000 0.0000000 -1.4840494 0.0000000 0.0000000 0.0000000 -1.1711715----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 12 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: 0.68, Number of G-points: 293, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/215) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.918 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.121 ( 0.000 0.000 0.000) 0.000 1.182 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 4.164 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/215) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.225 ( 11.194 -4.393 0.000) 12.026 0.294 ( 14.513 -1.752 0.000) 14.618 0.495 ( 22.786 -5.925 0.000) 23.544 0.935 ( 2.128 1.876 0.000) 2.837 1.129 ( -1.208 2.970 0.000) 3.207 1.139 ( 1.464 -1.310 0.000) 1.964 1.189 ( 5.727 -2.265 0.000) 6.158 1.420 ( -0.264 0.171 0.000) 0.315 1.450 ( 6.588 -0.311 0.000) 6.595 1.542 ( 4.250 -0.639 0.000) 4.298 1.912 ( -3.953 -3.455 0.000) 5.251 2.238 ( -0.381 1.938 0.000) 1.975 2.271 ( 6.101 -0.690 0.000) 6.140 2.385 ( 3.437 -0.903 0.000) 3.554 3.153 ( 2.316 5.225 0.000) 5.715 3.204 ( 5.327 13.683 0.000) 14.683 3.284 ( 0.257 -4.417 0.000) 4.424 4.180 ( 1.864 0.531 0.000) 1.938 4.603 ( -0.402 -7.317 0.000) 7.328 5.322 ( -3.483 0.023 0.000) 3.483 5.712 ( 7.545 21.980 0.000) 23.239 5.984 ( 2.215 -1.736 0.000) 2.814 6.337 ( -4.384 -17.807 0.000) 18.339 6.698 ( -1.398 -0.047 0.000) 1.398======================= Grid point 2 (3/215) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 370Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( 12.439 -1.583 0.000) 12.539 0.564 ( 12.800 -1.459 0.000) 12.883 0.843 ( 8.843 -3.215 0.000) 9.409 0.980 ( 3.474 2.779 0.000) 4.449 1.183 ( 2.180 -2.048 0.000) 2.991 1.204 ( 12.590 -0.668 0.000) 12.608 1.347 ( 8.737 -1.355 0.000) 8.841 1.412 ( -0.446 0.375 0.000) 0.583 1.571 ( 5.981 0.898 0.000) 6.048 1.648 ( 5.618 -1.373 0.000) 5.783 1.850 ( -3.390 -2.338 0.000) 4.118 2.215 ( -0.814 3.081 0.000) 3.187 2.418 ( 8.439 -0.972 0.000) 8.495 2.477 ( 5.085 -1.915 0.000) 5.433 3.180 ( 3.586 9.184 0.000) 9.859 3.254 ( 4.821 9.297 0.000) 10.472 3.333 ( 2.584 -7.451 0.000) 7.886 4.231 ( 3.660 0.610 0.000) 3.711 4.632 ( 0.079 -6.480 0.000) 6.481 5.223 ( -6.843 0.042 0.000) 6.843 5.785 ( 7.909 11.966 0.000) 14.344 6.046 ( 2.740 -3.131 0.000) 4.161 6.333 ( -1.593 -6.908 0.000) 7.090 6.662 ( -2.212 0.203 0.000) 2.222======================= Grid point 3 (4/215) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 11.806 3.161 0.000) 12.222 0.793 ( 10.487 -1.074 0.000) 10.542 0.950 ( 4.258 -3.187 0.000) 5.318 1.038 ( 3.803 2.706 0.000) 4.668 1.232 ( 1.727 -2.259 0.000) 2.843 1.402 ( -0.362 0.608 0.000) 0.707 1.468 ( 6.232 -0.260 0.000) 6.238 1.547 ( 13.977 -3.177 0.000) 14.333 1.674 ( 5.028 0.769 0.000) 5.086 1.725 ( 2.172 -0.576 0.000) 2.247 1.853 ( 4.091 -1.712 0.000) 4.434 2.180 ( -1.407 3.007 0.000) 3.320 2.579 ( 4.168 -2.659 0.000) 4.944 2.587 ( 8.386 -1.153 0.000) 8.465 3.203 ( 2.792 8.057 0.000) 8.527 3.295 ( 3.188 7.392 0.000) 8.051 3.462 ( 8.073 -5.637 0.000) 9.846 4.312 ( 4.972 0.436 0.000) 4.991 4.658 ( -0.207 -5.089 0.000) 5.094 5.062 ( -9.952 0.065 0.000) 9.953 5.904 ( 8.494 6.592 0.000) 10.752 6.102 ( 1.204 -3.946 0.000) 4.125 6.340 ( 0.338 -1.408 0.000) 1.448 6.618 ( -2.004 0.415 0.000) 2.047======================= Grid point 4 (5/215) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 370Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 8.864 6.940 0.000) 11.258 0.973 ( 7.985 -0.623 0.000) 8.009 1.077 ( 6.832 -3.995 0.000) 7.914 1.096 ( 3.246 2.068 0.000) 3.849 1.260 ( -0.017 -2.035 0.000) 2.035 1.397 ( 0.223 0.659 0.000) 0.696 1.486 ( -3.677 -4.536 0.000) 5.839 1.706 ( 3.160 3.087 0.000) 4.417 1.722 ( 2.454 0.738 0.000) 2.562 1.887 ( 9.049 -1.314 0.000) 9.144 1.992 ( 9.442 -1.624 0.000) 9.581 2.142 ( -0.935 1.759 0.000) 1.992 2.652 ( 2.203 -2.465 0.000) 3.306 2.738 ( 6.582 -1.200 0.000) 6.691 3.217 ( 1.715 5.072 0.000) 5.354 3.307 ( 0.996 5.440 0.000) 5.530 3.687 ( 13.080 -2.882 0.000) 13.393 4.412 ( 5.437 0.334 0.000) 5.447 4.666 ( -1.027 -3.469 0.000) 3.618 4.844 ( -12.660 0.126 0.000) 12.660 6.039 ( 7.273 2.120 0.000) 7.575 6.126 ( -0.045 -2.883 0.000) 2.884 6.351 ( 0.622 1.811 0.000) 1.914 6.588 ( -0.932 0.132 0.000) 0.941======================= Grid point 5 (6/215) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( 7.380 5.785 0.000) 9.377 1.105 ( 5.616 -0.078 0.000) 5.617 1.140 ( 1.922 1.138 0.000) 2.234 1.186 ( 1.459 -1.189 0.000) 1.882 1.247 ( -2.039 -1.340 0.000) 2.440 1.403 ( 0.521 0.328 0.000) 0.616 1.442 ( -1.426 -6.119 0.000) 6.283 1.716 ( -0.480 2.451 0.000) 2.498 1.758 ( 1.413 0.846 0.000) 1.647 1.977 ( 1.771 1.798 0.000) 2.524 2.132 ( 1.722 -1.573 0.000) 2.332 2.195 ( 7.326 -0.459 0.000) 7.340 2.688 ( 0.804 -1.408 0.000) 1.622 2.842 ( 3.671 -0.883 0.000) 3.776 3.225 ( 0.830 2.399 0.000) 2.538 3.292 ( -0.353 3.052 0.000) 3.073 3.974 ( 15.579 -1.351 0.000) 15.637 4.511 ( 5.005 0.518 0.000) 5.032 4.580 ( -14.747 0.279 0.000) 14.750 4.646 ( -2.359 -2.113 0.000) 3.167 6.116 ( -0.089 -2.162 0.000) 2.163 6.169 ( 4.662 0.384 0.000) 4.678 6.342 ( -0.520 2.619 0.000) 2.670 6.580 ( -0.115 -0.171 0.000) 0.206======================= Grid point 6 (7/215) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 190Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -0.000 -0.000 0.000) 0.000 1.156 ( 0.000 -0.000 0.000) 0.000 1.161 ( 0.000 0.000 0.000) 0.000 1.183 ( -0.000 -0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.408 ( 0.000 -0.000 0.000) 0.000 1.466 ( 0.000 -0.000 0.000) 0.000 1.693 ( 0.000 -0.000 0.000) 0.000 1.770 ( 0.000 -0.000 0.000) 0.000 1.985 ( 0.000 -0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 -0.000 0.000) 0.000 2.698 ( 0.000 -0.000 0.000) 0.000 2.881 ( 0.000 -0.000 0.000) 0.000 3.228 ( 0.000 -0.000 0.000) 0.000 3.279 ( 0.000 -0.000 0.000) 0.000 4.272 ( -0.000 0.000 0.000) 0.000 4.293 ( 0.000 -0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.597 ( -0.000 -0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.224 ( 0.000 -0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 -0.000 0.000) 0.000======================= Grid point 14 (8/215) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( 13.505 0.000 0.000) 13.505 0.557 ( 13.048 0.000 0.000) 13.048 0.828 ( 9.961 0.000 0.000) 9.961 0.993 ( 3.290 0.000 0.000) 3.290 1.173 ( 2.262 0.000 0.000) 2.262 1.202 ( 12.099 0.000 0.000) 12.099 1.341 ( 8.474 0.000 0.000) 8.474 1.414 ( -0.436 -0.000 0.000) 0.436 1.576 ( 6.127 0.000 0.000) 6.127 1.641 ( 5.864 0.000 0.000) 5.864 1.839 ( -3.082 -0.000 0.000) 3.082 2.229 ( -1.029 -0.000 0.000) 1.029 2.414 ( 8.496 0.000 0.000) 8.496 2.468 ( 5.072 0.000 0.000) 5.072 3.248 ( 6.187 0.000 0.000) 6.187 3.273 ( -0.003 -0.000 0.000) 0.003 3.297 ( 3.296 0.000 0.000) 3.296 4.234 ( 3.583 0.000 0.000) 3.583 4.602 ( 0.984 0.000 0.000) 0.984 5.223 ( -6.843 -0.000 0.000) 6.843 5.850 ( 5.324 0.000 0.000) 5.324 6.024 ( 2.407 0.000 0.000) 2.407 6.300 ( 0.944 0.000 0.000) 0.944 6.663 ( -2.157 -0.000 0.000) 2.157======================= Grid point 15 (9/215) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 13.663 1.336 0.000) 13.728 0.786 ( 10.726 -0.367 0.000) 10.732 0.929 ( 3.528 -1.267 0.000) 3.749 1.056 ( 3.471 1.099 0.000) 3.641 1.217 ( 1.882 -0.945 0.000) 2.106 1.405 ( -0.360 0.205 0.000) 0.414 1.463 ( 3.361 -0.527 0.000) 3.402 1.531 ( 17.826 -0.787 0.000) 17.844 1.679 ( 4.957 0.388 0.000) 4.972 1.721 ( 1.287 -0.208 0.000) 1.304 1.842 ( 4.905 -0.687 0.000) 4.953 2.198 ( -1.916 1.041 0.000) 2.181 2.563 ( 4.318 -0.903 0.000) 4.411 2.580 ( 8.454 -0.406 0.000) 8.463 3.262 ( 0.603 4.350 0.000) 4.391 3.342 ( 1.961 2.811 0.000) 3.428 3.418 ( 10.118 -3.534 0.000) 10.717 4.315 ( 4.877 0.218 0.000) 4.882 4.625 ( 0.744 -2.022 0.000) 2.155 5.062 ( -9.947 0.024 0.000) 9.947 5.954 ( 6.612 4.001 0.000) 7.729 6.068 ( 1.255 -3.062 0.000) 3.310 6.332 ( 1.899 -0.498 0.000) 1.963 6.621 ( -2.043 0.149 0.000) 2.048======================= Grid point 16 (10/215) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 9.314 6.597 0.000) 11.414 0.969 ( 8.216 -0.312 0.000) 8.222 1.038 ( 7.313 -4.733 0.000) 8.711 1.112 ( 2.853 1.341 0.000) 3.152 1.245 ( 0.256 -1.326 0.000) 1.351 1.401 ( 0.113 0.337 0.000) 0.356 1.452 ( -4.349 -2.851 0.000) 5.200 1.727 ( 3.338 0.675 0.000) 3.405 1.731 ( 1.638 1.940 0.000) 2.539 1.876 ( 12.057 -1.007 0.000) 12.099 1.980 ( 8.060 -1.009 0.000) 8.123 2.154 ( -1.583 0.946 0.000) 1.845 2.635 ( 2.620 -1.311 0.000) 2.929 2.730 ( 6.698 -0.640 0.000) 6.729 3.254 ( 0.252 3.056 0.000) 3.066 3.346 ( -0.115 3.186 0.000) 3.188 3.665 ( 14.125 -1.903 0.000) 14.253 4.414 ( 5.419 0.228 0.000) 5.424 4.640 ( -0.264 -2.123 0.000) 2.139 4.845 ( -12.632 0.072 0.000) 12.632 6.059 ( 5.027 2.248 0.000) 5.507 6.102 ( 1.558 -2.611 0.000) 3.040 6.363 ( 1.210 0.957 0.000) 1.543 6.589 ( -1.113 0.073 0.000) 1.116======================= Grid point 17 (11/215) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( 6.202 5.143 0.000) 8.057 1.104 ( 5.822 -0.041 0.000) 5.822 1.149 ( 1.536 1.000 0.000) 1.833 1.177 ( 2.229 -0.965 0.000) 2.429 1.236 ( -1.720 -1.149 0.000) 2.069 1.391 ( -0.936 -5.149 0.000) 5.233 1.406 ( 0.363 0.224 0.000) 0.427 1.736 ( -0.574 2.032 0.000) 2.112 1.764 ( 1.070 0.406 0.000) 1.144 1.992 ( 1.063 1.536 0.000) 1.868 2.115 ( 3.173 -2.168 0.000) 3.843 2.195 ( 6.578 0.241 0.000) 6.583 2.677 ( 1.367 -0.979 0.000) 1.681 2.836 ( 3.916 -0.627 0.000) 3.966 3.244 ( -0.261 1.735 0.000) 1.754 3.316 ( -1.537 2.256 0.000) 2.730 3.963 ( 16.059 -1.017 0.000) 16.092 4.515 ( 5.143 0.391 0.000) 5.158 4.582 ( -14.665 0.201 0.000) 14.667 4.629 ( -1.810 -1.602 0.000) 2.417 6.099 ( 0.570 -1.434 0.000) 1.543 6.173 ( 4.128 0.365 0.000) 4.144 6.361 ( -0.893 1.694 0.000) 1.915 6.578 ( -0.129 -0.141 0.000) 0.191======================= Grid point 18 (12/215) =======================q-point: ( 0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -5.325 -0.665 0.000) 5.367 1.156 ( -0.471 -0.034 0.000) 0.472 1.165 ( 2.674 0.693 0.000) 2.762 1.183 ( -1.436 0.041 0.000) 1.436 1.205 ( 2.016 -0.006 0.000) 2.016 1.408 ( -0.131 -0.001 0.000) 0.131 1.465 ( 3.964 -0.292 0.000) 3.975 1.697 ( -1.737 0.896 0.000) 1.954 1.769 ( -0.489 -0.251 0.000) 0.549 1.981 ( -1.044 -0.665 0.000) 1.238 2.154 ( 0.513 -0.095 0.000) 0.521 2.275 ( 0.589 0.375 0.000) 0.698 2.698 ( 0.642 -0.001 0.000) 0.642 2.880 ( 0.441 -0.089 0.000) 0.450 3.228 ( -1.038 0.001 0.000) 1.038 3.279 ( -1.412 0.090 0.000) 1.415 4.272 ( 8.192 -0.002 0.000) 8.192 4.293 ( -7.759 0.001 0.000) 7.759 4.584 ( -3.328 -0.905 0.000) 3.448 4.603 ( 4.034 0.881 0.000) 4.129 6.116 ( 0.901 -0.122 0.000) 0.909 6.226 ( 0.766 0.288 0.000) 0.818 6.322 ( -2.116 -0.185 0.000) 2.124 6.580 ( 0.133 0.016 0.000) 0.134======================= Grid point 19 (13/215) =======================q-point: (-0.50 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -8.413 -5.107 0.000) 9.842 1.106 ( -5.272 0.134 0.000) 5.274 1.130 ( -2.448 -1.029 0.000) 2.655 1.197 ( -0.960 1.127 0.000) 1.480 1.258 ( 2.412 1.206 0.000) 2.697 1.400 ( -0.735 -0.359 0.000) 0.818 1.496 ( 2.110 5.983 0.000) 6.344 1.694 ( 0.197 -2.344 0.000) 2.353 1.749 ( -1.834 -1.267 0.000) 2.229 1.961 ( -1.885 -1.663 0.000) 2.514 2.140 ( -1.535 0.156 0.000) 1.543 2.204 ( -7.314 1.486 0.000) 7.463 2.701 ( -0.069 1.506 0.000) 1.508 2.851 ( -3.300 0.923 0.000) 3.426 3.203 ( -2.119 -2.453 0.000) 3.241 3.264 ( -1.053 -3.034 0.000) 3.212 3.986 ( -15.084 1.313 0.000) 15.141 4.506 ( -4.836 -0.507 0.000) 4.863 4.577 ( 14.847 -0.286 0.000) 14.849 4.665 ( 2.951 2.042 0.000) 3.589 6.136 ( 1.470 2.126 0.000) 2.585 6.168 ( -5.870 0.331 0.000) 5.880 6.315 ( 0.071 -3.287 0.000) 3.288 6.581 ( 0.082 0.149 0.000) 0.171======================= Grid point 20 (14/215) =======================q-point: (-0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( -8.453 -6.387 0.000) 10.595 0.980 ( -7.621 0.929 0.000) 7.678 1.077 ( -3.778 -2.297 0.000) 4.421 1.109 ( -6.065 3.250 0.000) 6.881 1.279 ( 0.393 2.229 0.000) 2.263 1.390 ( -0.430 -0.942 0.000) 1.036 1.528 ( 2.373 4.724 0.000) 5.287 1.679 ( -2.946 -2.804 0.000) 4.067 1.715 ( -2.309 -0.885 0.000) 2.473 1.898 ( -5.935 1.255 0.000) 6.066 2.007 ( -10.813 1.801 0.000) 10.961 2.124 ( -0.197 -2.315 0.000) 2.323 2.677 ( -1.489 3.260 0.000) 3.583 2.751 ( -6.394 1.578 0.000) 6.586 3.168 ( -3.423 -5.826 0.000) 6.757 3.254 ( -2.441 -6.244 0.000) 6.704 3.713 ( -12.087 2.884 0.000) 12.427 4.409 ( -5.422 -0.326 0.000) 5.432 4.699 ( 1.946 3.753 0.000) 4.227 4.843 ( 12.699 -0.147 0.000) 12.699 6.021 ( -9.158 -1.886 0.000) 9.350 6.153 ( 0.916 3.127 0.000) 3.259 6.332 ( 0.284 -2.481 0.000) 2.498 6.587 ( 0.699 -0.161 0.000) 0.717======================= Grid point 21 (15/215) =======================q-point: (-0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -9.326 -3.478 0.000) 9.953 0.805 ( -10.046 1.708 0.000) 10.191 0.982 ( -4.745 3.897 0.000) 6.140 1.011 ( -4.333 -3.445 0.000) 5.535 1.255 ( -1.546 2.752 0.000) 3.156 1.395 ( 0.376 -0.991 0.000) 1.060 1.466 ( -8.784 -0.602 0.000) 8.805 1.585 ( -9.450 5.063 0.000) 10.721 1.667 ( -4.706 -0.678 0.000) 4.754 1.732 ( -4.194 1.120 0.000) 4.341 1.870 ( -2.799 2.109 0.000) 3.505 2.146 ( 0.464 -4.641 0.000) 4.665 2.600 ( -8.285 1.727 0.000) 8.463 2.610 ( -3.839 4.263 0.000) 5.737 3.127 ( -4.145 -9.038 0.000) 9.943 3.218 ( -5.027 -9.616 0.000) 10.851 3.511 ( -7.036 5.101 0.000) 8.690 4.308 ( -5.031 -0.374 0.000) 5.045 4.709 ( 1.560 6.235 0.000) 6.428 5.061 ( 9.962 -0.090 0.000) 9.962 5.845 ( -10.954 -6.516 0.000) 12.745 6.132 ( -1.822 2.761 0.000) 3.308 6.355 ( 2.255 1.975 0.000) 2.998 6.614 ( 1.919 -0.591 0.000) 2.008======================= Grid point 22 (16/215) =======================q-point: (-0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.486 ( -9.834 2.670 0.000) 10.190 0.582 ( -12.123 2.722 0.000) 12.425 0.881 ( -6.143 5.065 0.000) 7.961 0.947 ( -3.929 -4.346 0.000) 5.859 1.206 ( -2.029 2.923 0.000) 3.559 1.216 ( -13.149 2.138 0.000) 13.321 1.363 ( -9.740 2.242 0.000) 9.995 1.407 ( 0.480 -0.715 0.000) 0.861 1.567 ( -5.339 0.133 0.000) 5.341 1.661 ( -5.069 1.287 0.000) 5.230 1.876 ( 3.886 3.417 0.000) 5.175 2.175 ( 0.192 -5.800 0.000) 5.803 2.430 ( -8.314 1.704 0.000) 8.486 2.502 ( -5.130 3.739 0.000) 6.348 3.096 ( -3.292 -9.754 0.000) 10.295 3.147 ( -7.890 -13.978 0.000) 16.051 3.394 ( -2.828 6.330 0.000) 6.933 4.226 ( -3.670 -0.458 0.000) 3.699 4.705 ( 1.594 9.267 0.000) 9.403 5.222 ( 6.842 -0.073 0.000) 6.842 5.670 ( -11.785 -13.264 0.000) 17.744 6.066 ( -3.742 1.394 0.000) 3.994 6.405 ( 5.462 8.438 0.000) 10.052 6.659 ( 2.365 -0.399 0.000) 2.398======================= Grid point 23 (17/215) =======================q-point: (-0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.283 ( -8.684 7.733 0.000) 11.628 0.323 ( -12.996 4.645 0.000) 13.802 0.593 ( -17.244 15.213 0.000) 22.995 0.905 ( -2.361 -4.587 0.000) 5.159 1.098 ( -1.838 -3.598 0.000) 4.040 1.159 ( -1.375 2.912 0.000) 3.221 1.212 ( -3.508 2.732 0.000) 4.446 1.417 ( 0.277 -0.492 0.000) 0.565 1.461 ( -5.179 2.304 0.000) 5.668 1.550 ( -4.851 1.121 0.000) 4.979 1.958 ( 7.012 5.728 0.000) 9.054 2.204 ( 0.170 -5.557 0.000) 5.560 2.282 ( -5.908 1.772 0.000) 6.168 2.401 ( -3.501 2.644 0.000) 4.387 3.024 ( -15.316 -23.084 0.000) 27.703 3.089 ( -1.715 -8.522 0.000) 8.692 3.334 ( -0.795 6.138 0.000) 6.190 4.176 ( -1.572 -0.179 0.000) 1.582 4.697 ( 3.227 11.851 0.000) 12.282 5.322 ( 3.481 -0.064 0.000) 3.482 5.494 ( -16.662 -22.747 0.000) 28.196 5.992 ( -3.152 0.345 0.000) 3.171 6.510 ( 12.823 16.884 0.000) 21.201 6.699 ( 1.548 0.152 0.000) 1.555======================= Grid point 24 (18/215) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.099 ( -0.000 11.088 0.000) 11.088 0.104 ( -0.000 11.585 0.000) 11.585 0.261 ( -0.000 29.315 0.000) 29.315 0.901 ( 0.000 -3.710 0.000) 3.710 1.086 ( 0.000 -4.676 0.000) 4.676 1.133 ( -0.000 2.417 0.000) 2.417 1.201 ( -0.000 3.405 0.000) 3.405 1.379 ( -0.000 3.987 0.000) 3.987 1.422 ( 0.000 -0.324 0.000) 0.324 1.498 ( -0.000 0.003 0.000) 0.003 2.207 ( -0.000 0.739 0.000) 0.739 2.223 ( 0.000 -4.836 0.000) 4.836 2.283 ( 0.000 -1.894 0.000) 1.894 2.356 ( -0.000 1.714 0.000) 1.714 2.478 ( 0.000 -0.366 0.000) 0.366 3.106 ( 0.000 -6.921 0.000) 6.921 3.302 ( -0.000 5.389 0.000) 5.389 4.166 ( -0.000 0.406 0.000) 0.406 4.826 ( 0.000 -0.030 0.000) 0.030 5.109 ( -0.000 0.146 0.000) 0.146 5.355 ( 0.000 -0.047 0.000) 0.047 5.957 ( 0.000 -0.009 0.000) 0.009 6.713 ( -0.000 0.145 0.000) 0.145 6.798 ( 0.000 -0.031 0.000) 0.031======================= Grid point 27 (19/215) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.968 ( 8.295 0.000 0.000) 8.295 0.983 ( 12.674 0.000 0.000) 12.674 0.999 ( 4.317 0.000 0.000) 4.317 1.118 ( 2.701 0.000 0.000) 2.701 1.238 ( 0.364 0.000 0.000) 0.364 1.403 ( 0.079 0.000 0.000) 0.079 1.439 ( -4.573 -0.000 0.000) 4.573 1.729 ( 2.900 0.000 0.000) 2.900 1.741 ( 1.504 0.000 0.000) 1.504 1.871 ( 13.508 0.000 0.000) 13.508 1.975 ( 7.465 0.000 0.000) 7.465 2.158 ( -1.793 -0.000 0.000) 1.793 2.629 ( 2.756 0.000 0.000) 2.756 2.727 ( 6.738 0.000 0.000) 6.738 3.268 ( -0.379 -0.000 0.000) 0.379 3.360 ( -0.537 -0.000 0.000) 0.537 3.656 ( 14.619 0.000 0.000) 14.619 4.415 ( 5.404 0.000 0.000) 5.404 4.631 ( 0.041 0.000 0.000) 0.041 4.845 ( -12.621 -0.000 0.000) 12.621 6.077 ( 0.615 0.000 0.000) 0.615 6.082 ( 5.749 0.000 0.000) 5.749 6.368 ( 1.415 0.000 0.000) 1.415 6.590 ( -1.183 -0.000 0.000) 1.183======================= Grid point 28 (20/215) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 5.054 2.311 0.000) 5.557 1.104 ( 5.918 -0.013 0.000) 5.918 1.156 ( 1.326 0.434 0.000) 1.395 1.170 ( 3.241 -0.426 0.000) 3.269 1.228 ( -1.534 -0.487 0.000) 1.610 1.357 ( -0.751 -2.222 0.000) 2.345 1.407 ( 0.281 0.079 0.000) 0.292 1.750 ( -0.504 0.865 0.000) 1.001 1.765 ( 0.808 0.058 0.000) 0.810 2.002 ( 0.018 0.680 0.000) 0.681 2.099 ( 4.623 -1.043 0.000) 4.740 2.197 ( 6.127 0.160 0.000) 6.129 2.671 ( 1.667 -0.348 0.000) 1.703 2.832 ( 4.031 -0.226 0.000) 4.038 3.254 ( -0.889 0.632 0.000) 1.091 3.330 ( -2.214 0.832 0.000) 2.365 3.957 ( 16.362 -0.379 0.000) 16.366 4.518 ( 5.220 0.148 0.000) 5.222 4.583 ( -14.620 0.073 0.000) 14.620 4.619 ( -1.475 -0.601 0.000) 1.592 6.091 ( 0.831 -0.497 0.000) 0.968 6.175 ( 3.933 0.141 0.000) 3.935 6.371 ( -1.107 0.588 0.000) 1.253 6.578 ( -0.129 -0.056 0.000) 0.141======================= Grid point 29 (21/215) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 370Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.075 ( -8.280 -0.582 0.000) 8.301 1.156 ( -0.811 -0.033 0.000) 0.812 1.171 ( 3.645 0.613 0.000) 3.697 1.183 ( -2.537 0.040 0.000) 2.538 1.205 ( 3.538 -0.006 0.000) 3.538 1.408 ( -0.227 -0.001 0.000) 0.227 1.462 ( 6.785 -0.287 0.000) 6.791 1.707 ( -2.893 0.999 0.000) 3.061 1.766 ( -0.882 -0.344 0.000) 0.947 1.975 ( -1.692 -0.680 0.000) 1.824 2.154 ( 0.831 -0.081 0.000) 0.835 2.278 ( 1.003 0.358 0.000) 1.065 2.698 ( 1.112 -0.001 0.000) 1.112 2.879 ( 0.758 -0.089 0.000) 0.764 3.228 ( -1.798 0.001 0.000) 1.798 3.280 ( -2.441 0.090 0.000) 2.443 4.272 ( 14.169 -0.002 0.000) 14.169 4.293 ( -13.421 0.001 0.000) 13.421 4.577 ( -3.208 -0.549 0.000) 3.254 4.610 ( 4.433 0.525 0.000) 4.464 6.115 ( 1.528 -0.118 0.000) 1.533 6.228 ( 1.488 0.293 0.000) 1.516 6.320 ( -3.793 -0.194 0.000) 3.798 6.580 ( 0.230 0.016 0.000) 0.230======================= Grid point 30 (22/215) =======================q-point: (-0.58 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( -9.215 -3.500 0.000) 9.857 1.107 ( -4.754 0.208 0.000) 4.758 1.122 ( -3.105 -0.795 0.000) 3.205 1.206 ( -0.646 0.801 0.000) 1.029 1.268 ( 2.755 0.839 0.000) 2.880 1.397 ( -0.958 -0.287 0.000) 1.000 1.546 ( 3.006 4.984 0.000) 5.820 1.675 ( -0.307 -2.032 0.000) 2.055 1.737 ( -2.336 -1.373 0.000) 2.710 1.948 ( -1.669 -1.174 0.000) 2.041 2.138 ( -2.150 -0.355 0.000) 2.180 2.218 ( -6.776 1.395 0.000) 6.918 2.713 ( 0.662 1.177 0.000) 1.351 2.858 ( -2.880 0.709 0.000) 2.966 3.183 ( -3.289 -1.845 0.000) 3.771 3.240 ( -2.330 -2.221 0.000) 3.219 3.996 ( -14.702 0.940 0.000) 14.732 4.503 ( -4.683 -0.367 0.000) 4.698 4.575 ( 14.937 -0.213 0.000) 14.939 4.681 ( 3.433 1.457 0.000) 3.730 6.147 ( 0.999 0.411 0.000) 1.080 6.181 ( -5.215 2.596 0.000) 5.826 6.285 ( -0.346 -3.610 0.000) 3.626 6.582 ( 0.042 0.098 0.000) 0.106======================= Grid point 31 (23/215) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 370Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.764 ( -8.024 -4.944 0.000) 9.425 0.990 ( -7.159 1.218 0.000) 7.262 1.057 ( -4.372 -2.241 0.000) 4.913 1.134 ( -5.374 2.337 0.000) 5.860 1.298 ( 0.885 2.078 0.000) 2.258 1.380 ( -0.788 -1.125 0.000) 1.374 1.565 ( -0.130 3.448 0.000) 3.451 1.659 ( -1.621 -1.464 0.000) 2.184 1.707 ( -1.695 -0.968 0.000) 1.952 1.909 ( -3.251 1.031 0.000) 3.410 2.023 ( -11.538 1.753 0.000) 11.671 2.102 ( -1.830 -2.507 0.000) 3.103 2.707 ( -0.483 3.376 0.000) 3.411 2.765 ( -6.147 1.612 0.000) 6.355 3.118 ( -5.139 -5.329 0.000) 7.404 3.201 ( -3.851 -5.483 0.000) 6.701 3.736 ( -11.378 2.229 0.000) 11.595 4.406 ( -5.381 -0.249 0.000) 5.386 4.729 ( 2.766 3.080 0.000) 4.139 4.842 ( 12.738 -0.128 0.000) 12.739 6.006 ( -10.606 -1.456 0.000) 10.706 6.181 ( 1.020 3.259 0.000) 3.415 6.308 ( 1.483 -2.906 0.000) 3.262 6.586 ( 0.481 -0.146 0.000) 0.502======================= Grid point 32 (24/215) =======================q-point: (-0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( -6.844 -2.754 0.000) 7.377 0.823 ( -9.469 2.215 0.000) 9.725 0.979 ( -4.954 -3.629 0.000) 6.141 1.015 ( -4.880 3.479 0.000) 5.993 1.279 ( -1.440 2.767 0.000) 3.119 1.384 ( 0.432 -1.333 0.000) 1.401 1.460 ( -9.249 -0.719 0.000) 9.276 1.631 ( -5.864 4.800 0.000) 7.578 1.662 ( -3.861 -0.428 0.000) 3.885 1.746 ( -7.511 2.175 0.000) 7.820 1.889 ( -1.391 2.083 0.000) 2.505 2.099 ( -0.763 -5.718 0.000) 5.769 2.617 ( -8.177 2.025 0.000) 8.424 2.654 ( -3.245 5.575 0.000) 6.450 3.046 ( -5.241 -9.149 0.000) 10.544 3.133 ( -6.831 -9.351 0.000) 11.580 3.551 ( -6.520 3.900 0.000) 7.597 4.306 ( -5.020 -0.234 0.000) 5.025 4.763 ( 2.869 5.702 0.000) 6.383 5.060 ( 9.973 -0.090 0.000) 9.974 5.791 ( -13.225 -5.441 0.000) 14.300 6.151 ( -2.822 1.583 0.000) 3.236 6.373 ( 4.932 1.967 0.000) 5.309 6.608 ( 1.781 -0.624 0.000) 1.888======================= Grid point 33 (25/215) =======================q-point: (-0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 370Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( -6.768 3.281 0.000) 7.521 0.611 ( -11.175 3.644 0.000) 11.754 0.905 ( -4.531 -4.987 0.000) 6.737 0.925 ( -3.622 4.544 0.000) 5.811 1.232 ( -1.928 2.946 0.000) 3.521 1.242 ( -12.062 3.464 0.000) 12.550 1.388 ( -11.487 3.615 0.000) 12.042 1.400 ( 0.549 -0.969 0.000) 1.114 1.574 ( -4.380 1.496 0.000) 4.628 1.671 ( -4.263 0.947 0.000) 4.367 1.906 ( 3.910 3.082 0.000) 4.978 2.115 ( -0.760 -7.765 0.000) 7.802 2.448 ( -8.204 2.107 0.000) 8.470 2.542 ( -5.242 5.380 0.000) 7.512 3.009 ( -3.099 -9.962 0.000) 10.433 3.020 ( -10.428 -14.042 0.000) 17.490 3.444 ( -2.902 4.946 0.000) 5.734 4.223 ( -3.538 -0.142 0.000) 3.541 4.788 ( 3.033 9.196 0.000) 9.683 5.222 ( 6.841 -0.085 0.000) 6.841 5.559 ( -14.741 -11.558 0.000) 18.732 6.074 ( -4.390 0.491 0.000) 4.417 6.474 ( 7.679 6.853 0.000) 10.292 6.655 ( 2.571 -0.575 0.000) 2.635======================= Grid point 34 (26/215) =======================q-point: (-0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.353 ( -7.251 7.883 0.000) 10.710 0.372 ( -10.933 6.329 0.000) 12.633 0.745 ( -9.976 18.077 0.000) 20.647 0.858 ( -2.740 -5.924 0.000) 6.527 1.070 ( -4.816 -2.358 0.000) 5.362 1.186 ( -1.287 3.206 0.000) 3.455 1.237 ( -2.140 2.960 0.000) 3.653 1.412 ( 0.305 -0.741 0.000) 0.801 1.489 ( -3.038 3.823 0.000) 4.882 1.563 ( -5.460 1.954 0.000) 5.799 1.999 ( 7.757 3.074 0.000) 8.344 2.142 ( -0.095 -8.356 0.000) 8.356 2.300 ( -5.719 2.200 0.000) 6.128 2.431 ( -3.646 4.166 0.000) 5.536 2.836 ( -17.944 -18.551 0.000) 25.809 3.010 ( -1.352 -9.161 0.000) 9.260 3.386 ( -1.013 5.352 0.000) 5.447 4.177 ( -1.120 0.331 0.000) 1.168 4.795 ( 2.468 10.051 0.000) 10.350 5.321 ( 3.478 -0.088 0.000) 3.479 5.328 ( -16.058 -15.080 0.000) 22.029 5.994 ( -3.441 0.045 0.000) 3.441 6.621 ( 11.751 8.636 0.000) 14.583 6.701 ( 2.003 0.338 0.000) 2.031======================= Grid point 35 (27/215) =======================q-point: (-0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.195 ( -0.000 10.715 0.000) 10.715 0.204 ( -0.000 10.967 0.000) 10.967 0.517 ( -0.000 28.421 0.000) 28.421 0.858 ( 0.000 -5.825 0.000) 5.825 1.039 ( 0.000 -5.743 0.000) 5.743 1.159 ( -0.000 3.281 0.000) 3.281 1.232 ( -0.000 3.322 0.000) 3.322 1.418 ( 0.000 -0.599 0.000) 0.599 1.430 ( -0.000 7.182 0.000) 7.182 1.498 ( -0.000 0.006 0.000) 0.006 2.164 ( 0.000 -8.361 0.000) 8.361 2.217 ( -0.000 1.327 0.000) 1.327 2.254 ( 0.000 -4.508 0.000) 4.508 2.378 ( -0.000 3.273 0.000) 3.273 2.474 ( 0.000 -0.680 0.000) 0.680 3.036 ( 0.000 -8.566 0.000) 8.566 3.353 ( -0.000 5.612 0.000) 5.612 4.171 ( -0.000 0.698 0.000) 0.698 4.826 ( 0.000 -0.052 0.000) 0.052 5.111 ( -0.000 0.251 0.000) 0.251 5.355 ( 0.000 -0.082 0.000) 0.082 5.957 ( 0.000 -0.016 0.000) 0.016 6.714 ( -0.000 0.255 0.000) 0.255 6.797 ( 0.000 -0.058 0.000) 0.058======================= Grid point 40 (28/215) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( -9.150 -0.000 0.000) 9.150 1.155 ( -0.935 -0.000 0.000) 0.935 1.174 ( 3.773 0.000 0.000) 3.773 1.183 ( -2.960 -0.000 0.000) 2.960 1.205 ( 4.113 0.000 0.000) 4.113 1.408 ( -0.262 -0.000 0.000) 0.262 1.461 ( 7.794 0.000 0.000) 7.794 1.712 ( -3.290 -0.000 0.000) 3.290 1.764 ( -1.032 -0.000 0.000) 1.032 1.971 ( -1.886 -0.000 0.000) 1.886 2.153 ( 0.928 0.000 0.000) 0.928 2.280 ( 1.150 0.000 0.000) 1.150 2.698 ( 1.284 0.000 0.000) 1.284 2.879 ( 0.873 0.000 0.000) 0.873 3.228 ( -2.076 -0.000 0.000) 2.076 3.281 ( -2.816 -0.000 0.000) 2.816 4.272 ( 16.350 0.000 0.000) 16.350 4.293 ( -15.486 -0.000 0.000) 15.486 4.574 ( -3.128 -0.000 0.000) 3.128 4.612 ( 4.543 0.000 0.000) 4.543 6.114 ( 1.748 0.000 0.000) 1.748 6.230 ( 1.818 0.000 0.000) 1.818 6.319 ( -4.462 -0.000 0.000) 4.462 6.580 ( 0.264 0.000 0.000) 0.264======================= Grid point 41 (29/215) =======================q-point: (-0.67 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( -9.663 -1.247 0.000) 9.743 1.109 ( -4.042 0.205 0.000) 4.047 1.116 ( -3.890 -0.408 0.000) 3.912 1.210 ( -0.490 0.290 0.000) 0.569 1.273 ( 2.968 0.302 0.000) 2.983 1.395 ( -1.108 -0.111 0.000) 1.113 1.580 ( 4.266 2.388 0.000) 4.888 1.660 ( -1.253 -1.182 0.000) 1.722 1.727 ( -2.751 -0.652 0.000) 2.828 1.941 ( -1.454 -0.423 0.000) 1.514 2.136 ( -2.539 -0.179 0.000) 2.545 2.227 ( -6.501 0.534 0.000) 6.522 2.721 ( 1.136 0.449 0.000) 1.222 2.862 ( -2.586 0.268 0.000) 2.600 3.172 ( -4.001 -0.689 0.000) 4.060 3.227 ( -3.104 -0.815 0.000) 3.209 4.002 ( -14.498 0.340 0.000) 14.502 4.500 ( -4.593 -0.134 0.000) 4.594 4.574 ( 14.991 -0.079 0.000) 14.991 4.690 ( 3.700 0.526 0.000) 3.738 6.148 ( -0.359 -0.026 0.000) 0.360 6.207 ( -3.978 2.672 0.000) 4.792 6.254 ( -0.358 -2.866 0.000) 2.889 6.583 ( 0.014 0.034 0.000) 0.037======================= Grid point 42 (30/215) =======================q-point: (-0.58 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( -7.680 -2.716 0.000) 8.146 1.001 ( -6.669 1.402 0.000) 6.815 1.038 ( -4.943 -1.943 0.000) 5.312 1.150 ( -4.918 1.227 0.000) 5.068 1.315 ( 1.570 1.490 0.000) 2.165 1.371 ( -1.392 -0.989 0.000) 1.708 1.585 ( -3.566 1.207 0.000) 3.764 1.655 ( 0.460 0.318 0.000) 0.559 1.698 ( -0.643 -0.892 0.000) 1.099 1.916 ( -1.350 0.613 0.000) 1.483 2.038 ( -11.457 1.632 0.000) 11.573 2.081 ( -3.635 -2.209 0.000) 4.254 2.734 ( 0.627 2.335 0.000) 2.418 2.777 ( -5.898 1.084 0.000) 5.996 3.078 ( -6.659 -3.375 0.000) 7.466 3.161 ( -4.904 -3.256 0.000) 5.887 3.751 ( -10.971 1.199 0.000) 11.036 4.404 ( -5.339 -0.133 0.000) 5.340 4.751 ( 3.320 1.720 0.000) 3.739 4.841 ( 12.768 -0.074 0.000) 12.768 5.996 ( -11.525 -0.803 0.000) 11.553 6.209 ( 0.074 3.012 0.000) 3.013 6.282 ( 3.218 -2.859 0.000) 4.305 6.585 ( 0.329 -0.087 0.000) 0.341======================= Grid point 43 (31/215) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( -4.752 -1.645 0.000) 5.029 0.844 ( -8.859 2.458 0.000) 9.193 0.948 ( -5.575 -3.359 0.000) 6.509 1.041 ( -4.917 2.307 0.000) 5.431 1.303 ( -1.520 2.464 0.000) 2.895 1.371 ( 0.621 -1.550 0.000) 1.670 1.454 ( -8.897 -0.440 0.000) 8.908 1.657 ( -3.153 0.073 0.000) 3.154 1.667 ( -2.571 2.526 0.000) 3.604 1.771 ( -11.017 3.229 0.000) 11.481 1.907 ( -0.116 1.991 0.000) 1.995 2.047 ( -2.049 -5.814 0.000) 6.164 2.635 ( -8.065 1.818 0.000) 8.267 2.707 ( -2.118 6.227 0.000) 6.577 2.967 ( -6.622 -8.416 0.000) 10.709 3.059 ( -8.224 -6.899 0.000) 10.735 3.579 ( -6.254 2.428 0.000) 6.709 4.304 ( -4.976 -0.117 0.000) 4.977 4.807 ( 3.904 3.955 0.000) 5.558 5.059 ( 9.983 -0.067 0.000) 9.984 5.750 ( -14.963 -3.643 0.000) 15.400 6.161 ( -3.650 0.767 0.000) 3.730 6.389 ( 6.946 1.412 0.000) 7.089 6.603 ( 1.616 -0.483 0.000) 1.687======================= Grid point 44 (32/215) =======================q-point: (-0.42 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( -4.085 3.115 0.000) 5.137 0.646 ( -10.146 4.088 0.000) 10.938 0.861 ( -5.206 -4.990 0.000) 7.211 0.957 ( -2.782 2.585 0.000) 3.798 1.256 ( -1.928 2.462 0.000) 3.126 1.272 ( -9.108 3.188 0.000) 9.650 1.391 ( 0.672 -1.043 0.000) 1.241 1.429 ( -13.002 5.365 0.000) 14.066 1.592 ( -3.613 2.488 0.000) 4.386 1.677 ( -3.226 0.377 0.000) 3.247 1.928 ( 3.137 1.916 0.000) 3.676 2.042 ( -1.725 -8.192 0.000) 8.371 2.467 ( -8.182 2.118 0.000) 8.451 2.596 ( -5.527 6.711 0.000) 8.695 2.907 ( -11.853 -11.188 0.000) 16.299 2.921 ( -2.776 -9.790 0.000) 10.176 3.481 ( -2.932 3.394 0.000) 4.485 4.223 ( -3.373 0.029 0.000) 3.373 4.863 ( 4.305 7.565 0.000) 8.704 5.221 ( 6.840 -0.074 0.000) 6.840 5.468 ( -16.917 -8.839 0.000) 19.087 6.076 ( -4.694 0.149 0.000) 4.696 6.525 ( 8.583 4.661 0.000) 9.767 6.649 ( 2.743 -0.688 0.000) 2.828======================= Grid point 45 (33/215) =======================q-point: (-0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( -6.149 7.099 0.000) 9.392 0.432 ( -9.041 6.925 0.000) 11.388 0.803 ( -3.217 -6.425 0.000) 7.186 0.885 ( -2.467 11.207 0.000) 11.475 1.072 ( -8.851 4.620 0.000) 9.984 1.213 ( -1.240 2.795 0.000) 3.058 1.263 ( -1.600 2.776 0.000) 3.204 1.405 ( 0.350 -0.849 0.000) 0.919 1.520 ( -2.237 2.700 0.000) 3.506 1.589 ( -4.534 4.114 0.000) 6.122 2.005 ( 4.587 -2.492 0.000) 5.220 2.066 ( 1.245 -7.655 0.000) 7.756 2.319 ( -5.885 1.920 0.000) 6.191 2.473 ( -3.920 5.229 0.000) 6.535 2.699 ( -15.907 -12.651 0.000) 20.324 2.929 ( -0.976 -8.911 0.000) 8.964 3.427 ( -1.115 4.042 0.000) 4.193 4.181 ( -0.793 0.486 0.000) 0.930 4.875 ( -0.310 8.177 0.000) 8.183 5.217 ( -12.377 -10.439 0.000) 16.192 5.320 ( 3.475 -0.088 0.000) 3.476 5.994 ( -3.511 -0.023 0.000) 3.511 6.673 ( 7.884 3.558 0.000) 8.650 6.706 ( 3.692 0.917 0.000) 3.805======================= Grid point 46 (34/215) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.288 ( -0.000 10.091 0.000) 10.091 0.296 ( -0.000 9.824 0.000) 9.824 0.761 ( -0.000 26.756 0.000) 26.756 0.801 ( 0.000 -6.822 0.000) 6.822 0.987 ( 0.000 -5.891 0.000) 5.891 1.188 ( -0.000 3.120 0.000) 3.120 1.259 ( -0.000 2.631 0.000) 2.631 1.412 ( 0.000 -0.770 0.000) 0.770 1.498 ( -0.000 0.010 0.000) 0.010 1.502 ( -0.000 8.766 0.000) 8.766 2.079 ( 0.000 -10.584 0.000) 10.584 2.203 ( 0.000 -6.941 0.000) 6.941 2.230 ( -0.000 1.624 0.000) 1.624 2.413 ( -0.000 4.465 0.000) 4.465 2.467 ( 0.000 -0.874 0.000) 0.874 2.959 ( 0.000 -8.715 0.000) 8.715 3.398 ( -0.000 4.620 0.000) 4.620 4.177 ( -0.000 0.797 0.000) 0.797 4.825 ( 0.000 -0.060 0.000) 0.060 5.114 ( -0.000 0.286 0.000) 0.286 5.354 ( 0.000 -0.095 0.000) 0.095 5.957 ( 0.000 -0.018 0.000) 0.018 6.717 ( -0.000 0.301 0.000) 0.301 6.797 ( 0.000 -0.073 0.000) 0.073======================= Grid point 53 (35/215) =======================q-point: (-0.67 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.717 ( -7.546 -0.000 0.000) 7.546 1.011 ( -6.453 -0.000 0.000) 6.453 1.026 ( -5.186 -0.000 0.000) 5.186 1.155 ( -4.761 -0.000 0.000) 4.761 1.322 ( 2.118 0.000 0.000) 2.118 1.365 ( -1.912 -0.000 0.000) 1.912 1.590 ( -4.924 -0.000 0.000) 4.924 1.658 ( 0.956 0.000 0.000) 0.956 1.694 ( 0.120 0.000 0.000) 0.120 1.919 ( -0.645 -0.000 0.000) 0.645 2.048 ( -11.764 -0.000 0.000) 11.764 2.068 ( -3.974 -0.000 0.000) 3.974 2.745 ( 1.185 0.000 0.000) 1.185 2.783 ( -5.783 -0.000 0.000) 5.783 3.062 ( -7.350 -0.000 0.000) 7.350 3.147 ( -5.304 -0.000 0.000) 5.304 3.756 ( -10.839 -0.000 0.000) 10.839 4.404 ( -5.321 -0.000 0.000) 5.321 4.759 ( 3.516 0.000 0.000) 3.516 4.840 ( 12.779 0.000 0.000) 12.779 5.993 ( -11.841 -0.000 0.000) 11.841 6.227 ( -2.112 -0.000 0.000) 2.112 6.265 ( 5.668 0.000 0.000) 5.668 6.584 ( 0.276 0.000 0.000) 0.276======================= Grid point 55 (36/215) =======================q-point: (-0.58 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( -3.529 -0.533 0.000) 3.570 0.863 ( -8.434 1.619 0.000) 8.588 0.923 ( -5.998 -1.928 0.000) 6.300 1.055 ( -4.953 0.795 0.000) 5.016 1.321 ( -2.047 1.409 0.000) 2.485 1.359 ( 1.203 -1.097 0.000) 1.628 1.452 ( -8.553 -0.133 0.000) 8.554 1.656 ( -2.472 -0.094 0.000) 2.473 1.683 ( -1.419 0.845 0.000) 1.651 1.796 ( -12.557 1.805 0.000) 12.686 1.923 ( 0.948 1.532 0.000) 1.802 2.004 ( -3.210 -3.381 0.000) 4.663 2.647 ( -7.968 0.782 0.000) 8.007 2.756 ( 0.197 4.134 0.000) 4.138 2.905 ( -9.044 -4.869 0.000) 10.272 3.016 ( -9.001 -2.591 0.000) 9.367 3.593 ( -6.138 0.823 0.000) 6.193 4.304 ( -4.943 -0.034 0.000) 4.943 4.831 ( 4.494 1.415 0.000) 4.711 5.059 ( 9.989 -0.024 0.000) 9.989 5.728 ( -15.920 -1.289 0.000) 15.973 6.165 ( -4.082 0.224 0.000) 4.088 6.397 ( 7.998 0.510 0.000) 8.014 6.600 ( 1.496 -0.183 0.000) 1.507======================= Grid point 56 (37/215) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 370Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( -2.287 1.926 0.000) 2.989 0.680 ( -9.251 3.535 0.000) 9.903 0.820 ( -5.848 -3.981 0.000) 7.074 0.972 ( -3.179 0.929 0.000) 3.312 1.274 ( -2.025 1.487 0.000) 2.512 1.294 ( -6.684 1.695 0.000) 6.896 1.382 ( 0.843 -0.756 0.000) 1.132 1.475 ( -12.733 4.486 0.000) 13.500 1.618 ( -3.398 3.518 0.000) 4.891 1.674 ( -2.423 -1.214 0.000) 2.710 1.938 ( 0.634 -0.058 0.000) 0.636 1.980 ( -1.030 -5.060 0.000) 5.164 2.483 ( -8.239 1.491 0.000) 8.373 2.659 ( -6.425 7.249 0.000) 9.686 2.828 ( -12.453 -6.353 0.000) 13.980 2.838 ( -1.860 -8.793 0.000) 8.988 3.504 ( -2.944 1.727 0.000) 3.413 4.223 ( -3.250 0.054 0.000) 3.251 4.918 ( 5.593 4.522 0.000) 7.192 5.220 ( 6.839 -0.043 0.000) 6.839 5.406 ( -18.669 -5.075 0.000) 19.347 6.077 ( -4.821 0.033 0.000) 4.821 6.556 ( 8.964 2.458 0.000) 9.294 6.644 ( 2.757 -0.577 0.000) 2.817======================= Grid point 57 (38/215) =======================q-point: (-0.42 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( -5.239 5.193 0.000) 7.377 0.492 ( -7.558 6.431 0.000) 9.924 0.747 ( -3.760 -6.059 0.000) 7.131 0.926 ( -1.270 0.036 0.000) 1.270 1.161 ( -6.541 12.914 0.000) 14.476 1.235 ( -1.239 1.937 0.000) 2.299 1.285 ( -2.343 2.221 0.000) 3.229 1.398 ( 0.409 -0.722 0.000) 0.830 1.538 ( -3.357 1.686 0.000) 3.757 1.626 ( -2.336 3.194 0.000) 3.958 1.951 ( -0.509 -7.406 0.000) 7.423 2.022 ( 3.800 -3.346 0.000) 5.063 2.333 ( -6.403 1.253 0.000) 6.524 2.520 ( -4.415 5.249 0.000) 6.859 2.611 ( -12.985 -7.340 0.000) 14.916 2.855 ( -0.430 -7.488 0.000) 7.500 3.457 ( -1.165 2.503 0.000) 2.761 4.185 ( -0.586 0.391 0.000) 0.704 4.942 ( -4.201 7.005 0.000) 8.168 5.137 ( -7.815 -7.978 0.000) 11.168 5.320 ( 3.472 -0.065 0.000) 3.473 5.993 ( -3.522 -0.029 0.000) 3.522 6.690 ( 3.732 0.835 0.000) 3.824 6.717 ( 6.333 1.271 0.000) 6.459======================= Grid point 58 (39/215) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.373 ( -0.000 9.069 0.000) 9.069 0.375 ( -0.000 7.882 0.000) 7.882 0.739 ( 0.000 -7.042 0.000) 7.042 0.937 ( 0.000 -5.235 0.000) 5.235 0.986 ( -0.000 23.770 0.000) 23.770 1.213 ( -0.000 2.422 0.000) 2.422 1.278 ( -0.000 1.792 0.000) 1.792 1.405 ( 0.000 -0.759 0.000) 0.759 1.498 ( -0.000 0.010 0.000) 0.010 1.576 ( -0.000 7.154 0.000) 7.154 1.986 ( 0.000 -9.798 0.000) 9.798 2.134 ( 0.000 -8.660 0.000) 8.660 2.244 ( -0.000 1.509 0.000) 1.509 2.455 ( -0.000 4.898 0.000) 4.898 2.459 ( 0.000 -0.858 0.000) 0.858 2.885 ( 0.000 -7.810 0.000) 7.810 3.433 ( -0.000 3.234 0.000) 3.234 4.184 ( -0.000 0.683 0.000) 0.683 4.825 ( 0.000 -0.052 0.000) 0.052 5.116 ( -0.000 0.245 0.000) 0.245 5.353 ( 0.000 -0.083 0.000) 0.083 5.957 ( 0.000 -0.016 0.000) 0.016 6.719 ( -0.000 0.267 0.000) 0.267 6.796 ( 0.000 -0.070 0.000) 0.070======================= Grid point 67 (40/215) =======================q-point: (-0.58 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( -1.650 -0.000 0.000) 1.650 0.699 ( -8.853 -0.000 0.000) 8.853 0.799 ( -6.155 -0.000 0.000) 6.155 0.976 ( -3.498 -0.000 0.000) 3.498 1.281 ( -2.101 -0.000 0.000) 2.101 1.302 ( -5.918 -0.000 0.000) 5.918 1.379 ( 0.942 0.000 0.000) 0.942 1.497 ( -11.961 -0.000 0.000) 11.961 1.648 ( -4.535 -0.000 0.000) 4.535 1.657 ( -1.256 -0.000 0.000) 1.256 1.931 ( -3.073 -0.000 0.000) 3.073 1.961 ( 1.934 0.000 0.000) 1.934 2.490 ( -8.278 -0.000 0.000) 8.278 2.705 ( -9.093 -0.000 0.000) 9.093 2.785 ( 0.813 0.000 0.000) 0.813 2.799 ( -12.604 -0.000 0.000) 12.604 3.511 ( -2.948 -0.000 0.000) 2.948 4.223 ( -3.206 -0.000 0.000) 3.206 4.938 ( 6.272 0.000 0.000) 6.272 5.220 ( 6.839 0.000 0.000) 6.839 5.382 ( -19.489 -0.000 0.000) 19.489 6.077 ( -4.856 -0.000 0.000) 4.856 6.567 ( 9.136 0.000 0.000) 9.136 6.641 ( 2.679 0.000 0.000) 2.679======================= Grid point 69 (41/215) =======================q-point: (-0.50 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( -4.664 1.965 0.000) 5.061 0.538 ( -6.619 3.388 0.000) 7.436 0.703 ( -4.242 -3.254 0.000) 5.346 0.918 ( -2.630 -0.760 0.000) 2.738 1.246 ( -1.258 0.705 0.000) 1.442 1.250 ( 0.077 5.237 0.000) 5.238 1.305 ( -5.507 2.169 0.000) 5.918 1.393 ( 0.458 -0.294 0.000) 0.544 1.553 ( -4.566 1.541 0.000) 4.819 1.634 ( -1.881 -0.949 0.000) 2.107 1.907 ( 0.384 -2.192 0.000) 2.225 1.997 ( 1.660 -2.028 0.000) 2.621 2.341 ( -6.870 0.436 0.000) 6.883 2.558 ( -5.103 2.650 0.000) 5.750 2.568 ( -10.976 -2.401 0.000) 11.236 2.804 ( 0.279 -3.400 0.000) 3.412 3.471 ( -1.186 0.847 0.000) 1.458 4.188 ( -0.484 0.147 0.000) 0.506 4.999 ( -11.343 5.509 0.000) 12.610 5.075 ( -0.354 -5.780 0.000) 5.791 5.319 ( 3.471 -0.024 0.000) 3.471 5.993 ( -3.519 -0.012 0.000) 3.519 6.694 ( 2.644 0.158 0.000) 2.648 6.725 ( 6.715 0.465 0.000) 6.731======================= Grid point 70 (42/215) =======================q-point: (-0.42 0.42 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( -0.000 4.650 0.000) 4.650 0.445 ( -0.000 6.768 0.000) 6.768 0.681 ( 0.000 -5.797 0.000) 5.797 0.898 ( 0.000 -3.318 0.000) 3.318 1.172 ( -0.000 17.212 0.000) 17.212 1.230 ( -0.000 1.343 0.000) 1.343 1.290 ( -0.000 0.904 0.000) 0.904 1.399 ( 0.000 -0.492 0.000) 0.492 1.498 ( -0.000 0.007 0.000) 0.007 1.610 ( -0.000 0.047 0.000) 0.047 1.927 ( 0.000 -2.177 0.000) 2.177 2.055 ( 0.000 -8.707 0.000) 8.707 2.255 ( -0.000 0.928 0.000) 0.928 2.452 ( 0.000 -0.552 0.000) 0.552 2.495 ( -0.000 3.704 0.000) 3.704 2.825 ( 0.000 -5.177 0.000) 5.177 3.455 ( -0.000 1.660 0.000) 1.660 4.189 ( -0.000 0.391 0.000) 0.391 4.824 ( 0.000 -0.030 0.000) 0.030 5.118 ( -0.000 0.140 0.000) 0.140 5.353 ( 0.000 -0.048 0.000) 0.048 5.957 ( 0.000 -0.009 0.000) 0.009 6.721 ( -0.000 0.157 0.000) 0.157 6.795 ( 0.000 -0.044 0.000) 0.044======================= Grid point 82 (43/215) =======================q-point: ( 0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.453 ( -0.000 0.000 0.000) 0.000 0.479 ( -0.000 0.000 0.000) 0.000 0.651 ( -0.000 0.000 0.000) 0.000 0.883 ( -0.000 0.000 0.000) 0.000 1.236 ( -0.000 0.000 0.000) 0.000 1.258 ( 0.000 -0.000 0.000) 0.000 1.294 ( -0.000 0.000 0.000) 0.000 1.397 ( -0.000 0.000 0.000) 0.000 1.498 ( -0.000 0.000 0.000) 0.000 1.599 ( -0.000 0.000 0.000) 0.000 1.933 ( -0.000 0.000 0.000) 0.000 2.003 ( -0.000 0.000 0.000) 0.000 2.260 ( -0.000 0.000 0.000) 0.000 2.450 ( -0.000 0.000 0.000) 0.000 2.513 ( 0.000 -0.000 0.000) 0.000 2.801 ( -0.000 0.000 0.000) 0.000 3.462 ( -0.000 0.000 0.000) 0.000 4.191 ( -0.000 0.000 0.000) 0.000 4.824 ( -0.000 0.000 0.000) 0.000 5.118 ( -0.000 0.000 0.000) 0.000 5.352 ( -0.000 0.000 0.000) 0.000 5.957 ( -0.000 0.000 0.000) 0.000 6.722 ( -0.000 0.000 0.000) 0.000 6.795 ( -0.000 0.000 0.000) 0.000======================= Grid point 151 (44/215) =======================q-point: ( 0.00 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.247 ( 0.000 0.000 12.381) 12.381 0.300 ( 0.000 0.000 14.553) 14.553 0.545 ( 0.000 0.000 26.236) 26.236 0.963 ( 0.000 0.000 4.236) 4.236 1.141 ( 0.000 0.000 2.637) 2.637 1.189 ( 0.000 0.000 6.028) 6.028 1.207 ( 0.000 0.000 2.441) 2.441 1.354 ( 0.000 0.000 -0.636) 0.636 1.489 ( 0.000 0.000 6.162) 6.162 1.490 ( 0.000 0.000 -0.664) 0.664 1.956 ( 0.000 0.000 1.617) 1.617 2.206 ( 0.000 0.000 0.213) 0.213 2.256 ( 0.000 0.000 0.953) 0.953 2.472 ( 0.000 0.000 -0.774) 0.774 3.062 ( 0.000 0.000 -6.920) 6.920 3.270 ( 0.000 0.000 -0.353) 0.353 4.128 ( 0.000 0.000 -2.788) 2.788 4.474 ( 0.000 0.000 8.853) 8.853 4.539 ( 0.000 0.000 -4.235) 4.235 4.868 ( 0.000 0.000 4.052) 4.052 5.308 ( 0.000 0.000 -4.198) 4.198 5.929 ( 0.000 0.000 -2.841) 2.841 6.317 ( 0.000 0.000 2.080) 2.080 6.695 ( 0.000 0.000 -1.659) 1.659======================= Grid point 152 (45/215) =======================q-point: ( 0.08 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.291 ( 4.873 -1.256 8.686) 10.039 0.339 ( 7.422 -5.929 8.587) 12.805 0.777 ( 16.355 -2.212 19.400) 25.470 0.982 ( 2.444 1.641 4.361) 5.262 1.145 ( -1.655 2.164 1.762) 3.245 1.178 ( 1.044 -1.918 3.332) 3.984 1.231 ( 4.921 -1.270 3.958) 6.441 1.446 ( 6.385 -0.295 -0.232) 6.396 1.460 ( -0.946 -0.274 2.574) 2.756 1.557 ( 4.816 -0.203 2.536) 5.446 1.928 ( -2.612 -0.509 2.073) 3.373 2.239 ( -0.894 1.655 0.927) 2.097 2.268 ( 5.752 -0.346 -0.196) 5.766 2.494 ( 1.985 -0.227 2.620) 3.295 3.066 ( 1.175 3.079 -7.627) 8.308 3.273 ( -0.169 -2.138 -0.824) 2.297 3.558 ( -22.860 13.221 19.259) 32.685 4.275 ( 0.164 -0.018 8.490) 8.492 4.558 ( -0.464 -6.465 -4.708) 8.011 5.254 ( -4.450 1.153 -5.786) 7.390 5.507 ( 22.834 5.212 -10.879) 25.824 5.974 ( 4.304 -0.272 -0.979) 4.422 6.327 ( -1.230 -7.496 0.620) 7.622 6.682 ( -1.343 -0.046 -1.605) 2.093======================= Grid point 153 (46/215) =======================q-point: ( 0.17 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 10.475 0.714 -0.419) 10.508 0.550 ( 10.913 -6.667 3.519) 13.263 1.001 ( 4.995 -0.312 8.819) 10.141 1.031 ( 2.314 3.700 6.547) 7.868 1.201 ( 3.834 0.181 2.096) 4.373 1.253 ( 11.924 -3.550 4.901) 13.371 1.368 ( 7.843 -1.365 1.673) 8.135 1.438 ( -1.058 -0.204 2.089) 2.351 1.570 ( 6.002 0.425 -0.045) 6.017 1.666 ( 5.593 -0.792 1.990) 5.989 1.880 ( -2.202 -0.926 3.191) 3.987 2.214 ( -0.823 2.556 0.420) 2.718 2.407 ( 8.152 -0.463 -0.844) 8.209 2.546 ( 3.041 -1.386 4.194) 5.363 3.087 ( 3.379 6.497 -8.960) 11.572 3.276 ( -0.510 0.452 -1.041) 1.244 3.332 ( -1.110 3.369 3.601) 5.055 4.304 ( 2.655 0.527 6.131) 6.702 4.580 ( -0.211 -5.306 -5.758) 7.833 5.128 ( -8.223 -0.765 -7.826) 11.377 5.774 ( 11.759 8.033 -0.732) 14.259 6.075 ( 5.199 -1.336 2.356) 5.862 6.329 ( -1.393 -5.652 -0.107) 5.822 6.647 ( -2.145 0.169 -1.476) 2.610======================= Grid point 154 (47/215) =======================q-point: ( 0.25 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( 9.684 2.024 -2.905) 10.311 0.791 ( 11.182 -4.958 1.521) 12.326 1.059 ( 3.012 3.719 4.330) 6.454 1.081 ( 4.179 0.321 7.131) 8.272 1.244 ( 1.354 -1.401 1.206) 2.292 1.411 ( -0.277 0.565 0.924) 1.117 1.474 ( 4.527 -0.173 0.257) 4.538 1.580 ( 12.026 -3.677 2.769) 12.876 1.677 ( 5.686 0.837 0.665) 5.785 1.744 ( 2.661 -0.606 1.737) 3.235 1.891 ( 3.792 -0.967 3.858) 5.495 2.183 ( -1.203 2.436 0.455) 2.755 2.567 ( 7.829 -0.497 -1.229) 7.941 2.618 ( 3.454 -2.588 2.604) 5.041 3.133 ( 4.487 8.634 -8.115) 12.670 3.265 ( 1.065 5.366 -2.776) 6.135 3.377 ( 4.268 -5.092 -5.835) 8.843 4.366 ( 3.943 0.454 4.430) 5.948 4.590 ( -0.898 -3.303 -7.983) 8.686 4.954 ( -10.348 -1.602 -8.151) 13.270 5.945 ( 9.725 5.613 3.610) 11.795 6.160 ( 2.193 -2.982 4.952) 6.183 6.336 ( 0.802 -1.406 -0.334) 1.653 6.604 ( -2.006 0.375 -1.388) 2.468======================= Grid point 155 (48/215) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.808 ( 8.007 2.610 -3.142) 8.988 1.010 ( 9.552 -2.494 0.691) 9.896 1.109 ( 3.458 3.011 2.196) 5.084 1.156 ( 3.566 1.156 6.418) 7.432 1.263 ( 0.126 -1.908 0.387) 1.951 1.409 ( 0.497 0.548 1.248) 1.451 1.499 ( -2.078 -3.541 1.041) 4.236 1.712 ( 2.783 0.619 -0.937) 3.001 1.718 ( 1.365 3.126 0.894) 3.526 1.897 ( 7.872 -2.269 0.814) 8.232 2.010 ( 7.889 -0.907 2.166) 8.231 2.156 ( -0.283 1.303 1.397) 1.931 2.667 ( 2.274 -1.931 1.199) 3.215 2.724 ( 6.044 -1.447 -1.137) 6.318 3.168 ( 2.583 6.351 -5.531) 8.809 3.260 ( 0.550 4.826 -4.394) 6.549 3.540 ( 10.520 -4.201 -12.397) 16.793 4.446 ( 4.430 0.311 2.810) 5.255 4.554 ( -4.964 -0.745 -13.942) 14.818 4.766 ( -9.111 -2.449 -3.593) 10.096 6.096 ( 7.570 2.293 4.903) 9.306 6.185 ( -0.286 -2.614 4.821) 5.491 6.366 ( 1.726 1.480 1.591) 2.775 6.573 ( -0.967 0.152 -1.454) 1.753======================= Grid point 156 (49/215) =======================q-point: ( 0.42 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.939 ( 6.846 2.151 -2.809) 7.706 1.128 ( -0.370 0.027 -2.812) 2.837 1.157 ( 2.081 1.205 1.730) 2.962 1.206 ( 4.880 2.182 5.892) 7.955 1.294 ( 2.071 -2.259 0.795) 3.167 1.395 ( -2.755 -0.162 2.518) 3.736 1.489 ( 0.554 -4.233 2.694) 5.048 1.702 ( -0.925 2.754 -1.382) 3.217 1.753 ( 1.287 0.973 -0.604) 1.723 1.974 ( 1.110 0.611 -0.531) 1.374 2.142 ( 2.856 -1.869 0.929) 3.537 2.197 ( 5.257 0.335 0.743) 5.320 2.702 ( 0.817 -1.396 1.328) 2.093 2.823 ( 3.555 -0.857 -1.719) 4.040 3.180 ( 1.006 2.965 -4.654) 5.609 3.243 ( -0.336 2.857 -4.602) 5.427 3.798 ( 14.454 -2.119 -15.882) 21.578 4.374 ( -12.985 0.408 -18.138) 22.310 4.528 ( 4.175 0.393 1.405) 4.422 4.660 ( -3.841 -1.951 0.389) 4.326 6.162 ( -0.382 -1.497 3.484) 3.811 6.235 ( 4.890 0.362 5.755) 7.560 6.374 ( -0.098 2.073 3.273) 3.876 6.565 ( -0.071 -0.171 -1.432) 1.444======================= Grid point 157 (50/215) =======================q-point: (-0.50 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 334Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( -0.000 -0.000 -2.053) 2.053 1.071 ( 0.000 0.000 -3.833) 3.833 1.174 ( 0.000 -0.000 1.580) 1.580 1.275 ( 0.000 -0.000 6.046) 6.046 1.333 ( 0.000 0.000 7.350) 7.350 1.338 ( -0.000 -0.000 -4.322) 4.322 1.520 ( 0.000 -0.000 2.963) 2.963 1.676 ( 0.000 -0.000 -1.711) 1.711 1.762 ( 0.000 -0.000 -0.815) 0.815 1.979 ( 0.000 -0.000 -0.856) 0.856 2.170 ( 0.000 0.000 1.594) 1.594 2.257 ( 0.000 -0.000 -1.045) 1.045 2.713 ( 0.000 -0.000 1.381) 1.381 2.860 ( 0.000 -0.000 -1.844) 1.844 3.183 ( 0.000 0.000 -4.556) 4.556 3.232 ( 0.000 -0.000 -4.515) 4.515 4.077 ( 0.000 -0.000 -18.218) 18.218 4.112 ( -0.000 0.000 -16.523) 16.523 4.597 ( 0.000 0.000 0.660) 0.660 4.601 ( -0.000 -0.000 0.375) 0.375 6.159 ( 0.000 0.000 3.195) 3.195 6.293 ( 0.000 -0.000 5.964) 5.964 6.358 ( 0.000 0.000 3.602) 3.602 6.566 ( 0.000 -0.000 -1.361) 1.361======================= Grid point 165 (51/215) =======================q-point: ( 0.08 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.470 ( 11.166 0.000 -2.523) 11.447 0.513 ( 11.529 0.000 5.191) 12.644 0.999 ( 5.437 0.000 9.435) 10.889 1.049 ( 2.041 0.000 6.629) 6.936 1.203 ( 1.595 0.000 2.952) 3.355 1.234 ( 14.717 0.000 4.034) 15.260 1.362 ( 7.379 0.000 1.690) 7.570 1.437 ( -1.082 -0.000 1.788) 2.090 1.572 ( 6.208 0.000 -0.264) 6.213 1.662 ( 5.694 0.000 2.262) 6.126 1.875 ( -2.190 -0.000 3.644) 4.252 2.225 ( -1.008 -0.000 0.292) 1.049 2.405 ( 8.196 0.000 -0.778) 8.233 2.540 ( 2.882 0.000 4.417) 5.274 3.120 ( 4.006 0.000 -10.607) 11.338 3.263 ( -0.379 -0.000 -1.107) 1.170 3.360 ( -3.424 -0.000 4.927) 6.000 4.307 ( 2.653 0.000 6.094) 6.646 4.554 ( 0.678 0.000 -5.205) 5.249 5.125 ( -8.375 -0.000 -8.235) 11.745 5.814 ( 10.785 0.000 -2.279) 11.023 6.067 ( 4.787 0.000 3.151) 5.731 6.302 ( 0.098 0.000 0.409) 0.421 6.648 ( -2.096 -0.000 -1.491) 2.572======================= Grid point 166 (52/215) =======================q-point: ( 0.17 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 9.768 1.664 -4.672) 10.955 0.755 ( 12.374 -2.708 2.112) 12.842 1.083 ( 4.154 0.136 6.643) 7.836 1.084 ( 2.806 1.541 5.647) 6.491 1.234 ( 1.328 -0.596 1.668) 2.214 1.414 ( -0.703 0.141 1.023) 1.249 1.473 ( 3.124 -0.114 0.523) 3.169 1.557 ( 15.114 -1.356 2.359) 15.357 1.682 ( 5.939 0.352 0.654) 5.985 1.740 ( 1.705 -0.204 1.721) 2.431 1.885 ( 4.157 -0.357 4.244) 5.951 2.198 ( -1.662 0.831 0.169) 1.866 2.566 ( 8.150 0.022 -1.196) 8.237 2.601 ( 3.153 -1.072 2.944) 4.445 3.206 ( 4.866 7.528 -9.485) 13.051 3.271 ( 1.066 -4.160 -4.700) 6.366 3.353 ( 2.630 -0.079 -3.114) 4.077 4.369 ( 3.849 0.236 4.430) 5.873 4.568 ( 0.111 -1.407 -6.879) 7.023 4.944 ( -10.431 -0.542 -9.118) 13.865 5.985 ( 8.467 2.816 2.834) 9.363 6.136 ( 1.774 -1.898 5.700) 6.264 6.328 ( 2.327 -0.485 -0.331) 2.400 6.606 ( -2.026 0.135 -1.413) 2.474======================= Grid point 167 (53/215) =======================q-point: ( 0.25 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( 7.790 1.753 -4.558) 9.195 0.990 ( 10.701 -1.744 0.171) 10.843 1.131 ( 2.749 1.648 2.019) 3.788 1.168 ( 4.504 1.271 8.526) 9.726 1.250 ( -0.141 -1.100 0.560) 1.242 1.411 ( 0.603 -0.035 0.993) 1.162 1.472 ( -3.136 -2.234 1.742) 4.226 1.717 ( 3.158 0.396 -1.004) 3.337 1.743 ( 1.014 2.351 0.973) 2.739 1.879 ( 9.868 -1.788 0.179) 10.030 2.004 ( 7.060 -0.509 2.622) 7.548 2.164 ( -0.798 0.685 1.090) 1.515 2.654 ( 2.241 -0.979 1.691) 2.973 2.714 ( 6.459 -0.800 -1.429) 6.663 3.218 ( 0.578 4.635 -4.094) 6.211 3.292 ( -0.040 2.263 -5.294) 5.757 3.507 ( 11.731 -2.953 -13.429) 18.074 4.448 ( 4.383 0.219 2.785) 5.197 4.548 ( -3.953 -0.580 -12.643) 13.259 4.748 ( -9.301 -1.375 -4.712) 10.517 6.117 ( 5.878 2.378 4.961) 8.051 6.162 ( 0.906 -2.500 5.033) 5.692 6.376 ( 2.168 0.781 1.352) 2.672 6.574 ( -1.138 0.086 -1.438) 1.836======================= Grid point 168 (54/215) =======================q-point: ( 0.33 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.955 ( 6.347 1.525 -3.990) 7.651 1.128 ( 0.345 -0.066 -2.274) 2.302 1.167 ( 1.395 0.865 1.616) 2.303 1.229 ( 4.712 2.742 5.221) 7.549 1.276 ( 2.645 -1.615 1.921) 3.646 1.388 ( -4.295 -1.495 3.109) 5.509 1.458 ( 2.063 -2.623 2.706) 4.296 1.725 ( -1.002 2.339 -1.115) 2.779 1.759 ( 0.781 0.512 -0.515) 1.067 1.978 ( 0.925 0.171 -1.641) 1.892 2.126 ( 3.896 -1.542 1.343) 4.400 2.201 ( 4.677 0.418 0.911) 4.783 2.692 ( 1.322 -0.925 1.378) 2.122 2.817 ( 3.806 -0.647 -1.735) 4.232 3.204 ( -0.401 2.242 -4.104) 4.693 3.266 ( -1.402 2.050 -4.797) 5.402 3.781 ( 15.229 -1.614 -16.583) 22.573 4.377 ( -12.873 0.290 -18.005) 22.136 4.531 ( 4.269 0.298 1.316) 4.478 4.644 ( -3.261 -1.475 0.533) 3.619 6.151 ( 0.032 -0.996 3.938) 4.062 6.238 ( 4.459 0.306 5.717) 7.257 6.390 ( -0.351 1.390 2.907) 3.241 6.564 ( -0.098 -0.143 -1.436) 1.447======================= Grid point 169 (55/215) =======================q-point: ( 0.42 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -2.872 0.268 -1.849) 3.426 1.071 ( 1.517 -0.179 -3.950) 4.235 1.173 ( -0.548 -0.039 1.559) 1.653 1.273 ( -2.767 -0.381 6.044) 6.658 1.334 ( 3.517 0.191 4.806) 5.959 1.338 ( -0.255 0.042 -1.865) 1.882 1.519 ( 2.543 -0.171 2.970) 3.914 1.681 ( -1.830 1.106 -1.621) 2.683 1.759 ( -0.648 -0.512 -0.924) 1.239 1.976 ( -0.486 -0.631 -0.815) 1.139 2.170 ( 0.650 0.069 1.664) 1.788 2.259 ( 0.240 0.267 -1.109) 1.166 2.713 ( 0.679 0.038 1.403) 1.559 2.860 ( 0.400 -0.138 -1.871) 1.918 3.183 ( -1.272 0.007 -4.551) 4.725 3.232 ( -1.331 0.080 -4.524) 4.716 4.077 ( 7.388 0.095 -18.173) 19.618 4.112 ( -6.671 -0.090 -16.563) 17.856 4.591 ( -3.126 -0.762 0.704) 3.293 4.607 ( 3.801 0.746 0.333) 3.888 6.158 ( 0.667 -0.059 3.217) 3.286 6.294 ( 0.771 0.241 5.943) 5.998 6.357 ( -1.945 -0.206 3.598) 4.095 6.566 ( 0.145 0.021 -1.358) 1.366======================= Grid point 170 (56/215) =======================q-point: (-0.50 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( -7.452 -2.235 -1.344) 7.895 1.126 ( 0.412 -0.427 -3.092) 3.148 1.148 ( -2.339 -0.887 1.509) 2.922 1.191 ( -4.724 -1.247 5.659) 7.477 1.315 ( -1.529 2.438 0.408) 2.907 1.392 ( 1.680 -0.615 2.395) 2.990 1.528 ( 0.536 4.453 2.066) 4.938 1.679 ( 0.475 -2.533 -1.586) 3.026 1.742 ( -1.549 -1.329 -0.667) 2.147 1.968 ( -0.994 -0.825 0.402) 1.353 2.156 ( -1.844 1.111 1.305) 2.518 2.197 ( -6.075 0.344 -0.009) 6.085 2.716 ( -0.113 1.594 1.348) 2.091 2.831 ( -3.197 0.804 -1.770) 3.742 3.153 ( -2.535 -2.933 -5.145) 6.443 3.217 ( -0.994 -2.887 -4.467) 5.411 3.817 ( -13.708 2.036 -15.131) 20.518 4.370 ( 13.129 -0.423 -18.305) 22.531 4.524 ( -4.054 -0.384 1.504) 4.341 4.677 ( 4.468 1.889 0.234) 4.857 6.176 ( 1.167 1.677 2.891) 3.540 6.232 ( -5.729 -0.184 5.698) 8.082 6.354 ( -0.149 -2.417 3.870) 4.565 6.567 ( 0.022 0.148 -1.430) 1.438======================= Grid point 171 (57/215) =======================q-point: (-0.42 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( -7.835 -2.695 -1.307) 8.389 1.031 ( -8.388 2.153 2.227) 8.942 1.082 ( -4.003 -2.774 1.073) 4.987 1.147 ( -2.986 -0.935 4.402) 5.401 1.282 ( -0.447 2.381 0.149) 2.427 1.402 ( -0.461 -1.100 1.411) 1.848 1.531 ( 0.580 3.428 0.066) 3.477 1.690 ( -0.551 -3.046 0.367) 3.117 1.708 ( -2.667 -0.401 -0.300) 2.713 1.917 ( -5.446 2.070 1.518) 6.021 2.020 ( -9.070 1.159 1.574) 9.279 2.142 ( -0.603 -1.763 1.839) 2.618 2.688 ( -2.259 2.753 0.579) 3.608 2.738 ( -5.374 1.789 -0.774) 5.717 3.110 ( -4.217 -6.543 -6.230) 9.970 3.211 ( -1.866 -5.931 -4.035) 7.412 3.577 ( -9.532 3.990 -11.411) 15.395 4.443 ( -4.448 -0.292 2.848) 5.290 4.560 ( 6.055 0.575 -15.342) 16.503 4.790 ( 9.027 2.879 -2.422) 9.780 6.077 ( -9.263 -2.039 4.819) 10.639 6.208 ( 1.261 2.708 4.480) 5.385 6.350 ( -1.121 -2.037 1.973) 3.049 6.572 ( 0.747 -0.182 -1.473) 1.662======================= Grid point 172 (58/215) =======================q-point: (-0.33 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( -8.563 -0.908 -1.271) 8.704 0.837 ( -9.981 5.087 2.250) 11.426 1.023 ( -3.503 -4.301 3.184) 6.396 1.078 ( -4.077 -0.478 6.419) 7.619 1.257 ( -1.527 1.693 0.531) 2.341 1.404 ( 0.036 -0.974 0.927) 1.345 1.476 ( -5.558 0.232 0.342) 5.573 1.617 ( -8.087 4.526 2.586) 9.621 1.669 ( -5.055 -1.007 0.586) 5.187 1.752 ( -4.915 1.308 1.881) 5.422 1.901 ( -3.073 1.356 3.302) 4.710 2.155 ( 0.330 -3.831 0.982) 3.969 2.575 ( -7.792 1.347 -1.559) 8.059 2.646 ( -3.450 3.567 2.229) 5.440 3.056 ( -4.673 -8.695 -7.371) 12.319 3.198 ( -2.809 -9.014 -1.879) 9.626 3.425 ( -4.292 5.406 -6.479) 9.467 4.362 ( -3.991 -0.371 4.454) 5.992 4.622 ( 2.340 3.559 -9.879) 10.759 4.972 ( 10.241 2.478 -6.469) 12.363 5.893 ( -11.590 -5.939 4.221) 13.690 6.183 ( -3.163 2.146 4.350) 5.791 6.352 ( 1.732 2.016 -0.302) 2.675 6.600 ( 1.955 -0.532 -1.343) 2.430======================= Grid point 173 (59/215) =======================q-point: (-0.25 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.466 ( -8.605 2.241 0.690) 8.919 0.617 ( -9.618 7.900 3.715) 12.989 0.988 ( -2.825 -5.195 4.361) 7.348 1.005 ( -3.887 0.221 9.085) 9.884 1.203 ( -4.638 0.724 1.321) 4.877 1.289 ( -9.359 4.427 5.393) 11.674 1.384 ( -8.570 1.948 1.474) 8.911 1.442 ( 0.219 0.873 3.247) 3.370 1.567 ( -5.450 -0.025 0.107) 5.451 1.674 ( -5.229 0.918 1.550) 5.531 1.891 ( 2.166 1.632 2.105) 3.433 2.181 ( 0.269 -4.932 0.802) 5.004 2.414 ( -8.083 1.023 -1.055) 8.215 2.564 ( -3.461 2.523 3.548) 5.561 3.019 ( -2.921 -8.435 -7.150) 11.437 3.202 ( -0.925 -12.854 4.094) 13.522 3.353 ( -1.207 4.953 -2.401) 5.635 4.300 ( -2.536 -0.342 6.236) 6.740 4.637 ( 1.950 7.134 -7.263) 10.365 5.138 ( 7.805 1.610 -6.635) 10.369 5.690 ( -13.567 -10.285 1.606) 17.100 6.084 ( -5.839 0.764 1.563) 6.093 6.390 ( 4.028 7.427 -1.047) 8.513 6.645 ( 2.280 -0.334 -1.432) 2.713======================= Grid point 174 (60/215) =======================q-point: (-0.17 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.320 ( -3.319 5.079 8.513) 10.454 0.419 ( -6.170 10.759 7.204) 14.343 0.816 ( -14.204 6.585 17.337) 23.360 0.955 ( -2.204 -4.038 4.689) 6.569 1.121 ( -1.288 -2.816 2.177) 3.785 1.200 ( -0.379 2.958 3.498) 4.596 1.250 ( -3.619 2.625 3.641) 5.766 1.453 ( -4.127 1.387 -0.043) 4.354 1.463 ( -0.541 0.282 2.681) 2.749 1.561 ( -5.215 0.669 2.091) 5.659 1.936 ( 2.592 1.230 0.640) 2.940 2.211 ( 0.642 -4.773 1.094) 4.939 2.273 ( -5.669 0.913 -0.296) 5.750 2.498 ( -2.528 0.638 2.172) 3.394 3.019 ( -0.817 -6.898 -5.972) 9.160 3.293 ( 1.520 -1.850 0.623) 2.474 3.383 ( 9.561 -19.253 18.407) 28.300 4.276 ( 0.362 0.325 8.764) 8.777 4.643 ( 3.567 10.918 -5.861) 12.895 5.232 ( -1.009 -3.733 -5.741) 6.922 5.443 ( -16.264 -7.329 -4.109) 18.306 5.977 ( -4.581 0.216 -1.356) 4.783 6.428 ( 4.242 13.044 -3.840) 14.244 6.682 ( 1.461 0.120 -1.613) 2.179======================= Grid point 175 (61/215) =======================q-point: (-0.08 0.08 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.304 ( -0.000 10.415 10.468) 14.767 0.318 ( -0.000 3.756 13.747) 14.251 0.582 ( -0.000 8.632 23.952) 25.460 0.949 ( 0.000 -2.881 4.574) 5.406 1.117 ( 0.000 -4.439 2.777) 5.236 1.199 ( -0.000 2.133 5.884) 6.259 1.227 ( -0.000 3.341 2.377) 4.100 1.364 ( -0.000 2.233 -0.739) 2.352 1.489 ( 0.000 -0.072 6.115) 6.115 1.490 ( 0.000 -0.013 -0.673) 0.673 1.961 ( -0.000 0.893 0.515) 1.031 2.209 ( -0.000 0.701 0.196) 0.728 2.240 ( 0.000 -3.497 1.025) 3.644 2.471 ( 0.000 -0.368 -0.775) 0.858 3.038 ( 0.000 -4.933 -5.987) 7.757 3.287 ( -0.000 3.217 -1.119) 3.406 3.821 ( 0.000 -55.219 18.777) 58.325 4.320 ( 0.000 -4.682 13.543) 14.329 4.785 ( -0.000 19.384 -14.762) 24.365 4.868 ( 0.000 -0.028 4.053) 4.053 5.335 ( -0.000 4.662 -3.814) 6.023 5.929 ( 0.000 -0.008 -2.841) 2.841 6.407 ( -0.000 16.807 -5.475) 17.676 6.696 ( -0.000 0.237 -1.678) 1.695======================= Grid point 178 (62/215) =======================q-point: ( 0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( 7.572 0.000 -5.139) 9.151 0.982 ( 11.250 0.000 0.118) 11.251 1.138 ( 2.462 0.000 1.868) 3.090 1.174 ( 4.968 0.000 9.388) 10.621 1.245 ( -0.263 -0.000 0.616) 0.670 1.410 ( 0.598 0.000 0.822) 1.016 1.462 ( -3.495 -0.000 2.003) 4.029 1.718 ( 3.182 0.000 -1.036) 3.346 1.755 ( 0.663 0.000 1.080) 1.267 1.870 ( 10.846 0.000 -0.123) 10.847 2.002 ( 6.777 0.000 2.793) 7.330 2.167 ( -0.966 -0.000 0.980) 1.376 2.650 ( 2.218 0.000 1.880) 2.908 2.710 ( 6.603 0.000 -1.544) 6.781 3.241 ( -0.848 -0.000 -2.770) 2.897 3.301 ( 0.262 0.000 -6.329) 6.334 3.493 ( 12.350 0.000 -13.904) 18.597 4.449 ( 4.354 0.000 2.778) 5.165 4.545 ( -3.528 -0.000 -12.102) 12.606 4.742 ( -9.401 -0.000 -5.185) 10.736 6.135 ( 6.608 0.000 4.784) 8.158 6.144 ( -0.003 -0.000 5.303) 5.303 6.380 ( 2.330 0.000 1.270) 2.654 6.575 ( -1.203 -0.000 -1.432) 1.870======================= Grid point 179 (63/215) =======================q-point: ( 0.25 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.965 ( 6.065 0.549 -4.619) 7.643 1.127 ( 0.830 -0.032 -1.978) 2.145 1.172 ( 1.075 0.319 1.552) 1.915 1.249 ( 3.834 1.270 1.023) 4.166 1.267 ( 3.920 -0.304 6.443) 7.548 1.373 ( -5.243 -1.358 3.698) 6.558 1.444 ( 2.688 -0.667 2.356) 3.636 1.741 ( -0.650 1.004 -0.891) 1.491 1.762 ( 0.088 0.098 -0.477) 0.495 1.978 ( 0.663 -0.037 -2.473) 2.561 2.116 ( 4.565 -0.565 1.840) 4.954 2.204 ( 4.438 0.171 0.900) 4.532 2.686 ( 1.581 -0.321 1.429) 2.155 2.813 ( 3.926 -0.240 -1.762) 4.310 3.218 ( -1.289 0.846 -3.695) 4.003 3.278 ( -1.966 0.735 -4.976) 5.401 3.771 ( 15.742 -0.606 -17.016) 23.188 4.379 ( -12.815 0.104 -17.933) 22.041 4.533 ( 4.318 0.113 1.263) 4.501 4.635 ( -2.907 -0.552 0.622) 3.024 6.145 ( 0.208 -0.347 4.174) 4.194 6.240 ( 4.280 0.117 5.685) 7.117 6.398 ( -0.510 0.490 2.733) 2.823 6.563 ( -0.106 -0.057 -1.440) 1.445======================= Grid point 180 (64/215) =======================q-point: ( 0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.042 ( -5.697 0.316 -1.328) 5.858 1.069 ( 3.341 -0.229 -4.294) 5.445 1.173 ( -0.970 -0.040 1.516) 1.800 1.270 ( -4.226 -0.345 6.014) 7.358 1.335 ( 3.341 0.011 -2.699) 4.295 1.339 ( 1.787 0.188 5.492) 5.778 1.518 ( 4.224 -0.155 2.993) 5.179 1.693 ( -3.060 1.324 -1.387) 3.611 1.753 ( -1.118 -0.738 -1.211) 1.806 1.970 ( -0.718 -0.627 -0.722) 1.196 2.171 ( 1.031 0.064 1.793) 2.069 2.261 ( 0.441 0.261 -1.230) 1.332 2.714 ( 1.181 0.039 1.449) 1.870 2.858 ( 0.680 -0.139 -1.927) 2.048 3.183 ( -2.207 0.007 -4.541) 5.049 3.233 ( -2.294 0.080 -4.541) 5.089 4.078 ( 13.474 0.100 -18.077) 22.546 4.111 ( -12.232 -0.095 -16.648) 20.659 4.586 ( -2.932 -0.451 0.811) 3.076 4.612 ( 4.103 0.435 0.232) 4.132 6.158 ( 1.143 -0.058 3.260) 3.455 6.297 ( 1.534 0.256 5.907) 6.108 6.355 ( -3.553 -0.222 3.586) 5.053 6.566 ( 0.249 0.021 -1.353) 1.376======================= Grid point 181 (65/215) =======================q-point: (-0.58 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( -8.014 -1.691 -0.026) 8.190 1.121 ( -1.067 -0.693 -2.340) 2.663 1.143 ( -0.941 -0.220 0.186) 0.984 1.183 ( -4.650 -0.617 5.376) 7.135 1.336 ( -0.928 2.273 0.039) 2.456 1.385 ( 0.962 -1.087 2.667) 3.037 1.565 ( 1.268 3.747 1.209) 4.136 1.658 ( -0.277 -2.015 -1.663) 2.627 1.730 ( -1.594 -1.336 -0.628) 2.173 1.961 ( -0.698 -0.669 1.029) 1.412 2.161 ( -1.751 0.139 2.098) 2.736 2.203 ( -6.201 0.861 -0.969) 6.335 2.729 ( 0.661 1.340 1.475) 2.100 2.837 ( -2.838 0.525 -1.912) 3.463 3.130 ( -3.861 -2.169 -5.509) 7.068 3.195 ( -2.226 -2.120 -4.377) 5.349 3.833 ( -13.169 1.446 -14.519) 19.655 4.367 ( 13.268 -0.320 -18.463) 22.739 4.521 ( -3.943 -0.278 1.588) 4.260 4.692 ( 4.981 1.349 0.107) 5.161 6.190 ( 2.303 1.266 2.479) 3.613 6.232 ( -7.006 0.282 5.201) 8.730 6.333 ( -0.262 -2.219 4.734) 5.235 6.568 ( -0.032 0.096 -1.429) 1.433======================= Grid point 182 (66/215) =======================q-point: (-0.50 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -7.357 -2.211 0.555) 7.702 1.040 ( -6.875 -0.624 3.663) 7.815 1.069 ( -4.963 0.321 0.205) 4.978 1.139 ( -2.729 -0.826 2.325) 3.679 1.304 ( -0.802 2.537 -0.157) 2.665 1.390 ( -0.490 -1.534 1.597) 2.268 1.557 ( -1.208 2.528 -0.817) 2.919 1.665 ( -0.007 -2.480 -0.252) 2.493 1.706 ( -1.625 -0.016 0.317) 1.656 1.933 ( -2.971 1.572 2.122) 3.975 2.031 ( -10.124 1.270 0.989) 10.251 2.125 ( -1.813 -1.924 2.354) 3.540 2.715 ( -2.207 3.203 0.016) 3.890 2.754 ( -4.386 1.611 -0.412) 4.691 3.055 ( -5.664 -5.730 -6.534) 10.373 3.160 ( -3.268 -5.326 -3.887) 7.359 3.608 ( -8.916 2.989 -10.678) 14.228 4.441 ( -4.435 -0.216 2.887) 5.296 4.564 ( 6.894 0.331 -16.407) 17.799 4.814 ( 9.105 2.505 -1.568) 9.572 6.061 ( -10.649 -1.564 4.747) 11.763 6.232 ( 1.903 2.776 3.989) 5.220 6.331 ( -0.526 -2.425 2.493) 3.517 6.570 ( 0.541 -0.163 -1.491) 1.594======================= Grid point 183 (67/215) =======================q-point: (-0.42 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( -6.741 0.235 0.435) 6.760 0.877 ( -8.852 3.808 3.887) 10.391 0.988 ( -4.202 -3.334 1.744) 5.641 1.073 ( -3.995 -0.661 5.009) 6.441 1.272 ( -1.875 1.634 -0.197) 2.495 1.395 ( 0.219 -1.130 1.111) 1.600 1.479 ( -5.778 0.451 0.838) 5.856 1.652 ( -3.733 2.073 0.295) 4.280 1.662 ( -4.561 0.409 1.622) 4.858 1.769 ( -8.313 2.576 2.224) 8.982 1.914 ( -2.097 1.589 2.818) 3.855 2.117 ( -0.844 -4.783 1.681) 5.139 2.590 ( -7.910 1.986 -1.934) 8.382 2.681 ( -3.227 4.355 1.645) 5.664 2.980 ( -4.996 -8.313 -6.483) 11.666 3.116 ( -4.562 -9.134 -1.553) 10.327 3.468 ( -4.262 4.222 -6.461) 8.817 4.360 ( -3.967 -0.220 4.490) 5.995 4.650 ( 3.684 2.750 -11.948) 12.802 4.996 ( 10.216 2.811 -4.606) 11.553 5.844 ( -13.441 -5.115 4.634) 15.110 6.198 ( -4.273 1.188 3.930) 5.926 6.370 ( 4.276 2.014 -0.248) 4.733 6.595 ( 1.864 -0.559 -1.285) 2.333======================= Grid point 184 (68/215) =======================q-point: (-0.33 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -6.357 4.476 1.488) 7.916 0.684 ( -8.319 7.132 4.997) 12.043 0.939 ( -3.214 -5.599 4.073) 7.633 1.007 ( -2.996 0.028 6.684) 7.325 1.213 ( -4.104 1.457 0.750) 4.419 1.327 ( -6.708 4.052 5.088) 9.343 1.400 ( -6.551 1.426 0.826) 6.755 1.456 ( -4.099 2.470 5.272) 7.120 1.572 ( -4.664 1.086 -0.152) 4.791 1.681 ( -4.577 0.603 1.203) 4.771 1.907 ( 1.938 1.933 0.997) 2.913 2.128 ( -0.607 -6.758 1.398) 6.928 2.425 ( -8.083 1.562 -1.392) 8.350 2.590 ( -4.060 3.384 2.513) 5.852 2.941 ( -3.132 -9.166 -5.568) 11.173 3.083 ( -3.334 -13.134 4.714) 14.347 3.396 ( -1.563 4.560 -3.410) 5.905 4.298 ( -2.318 -0.048 6.346) 6.757 4.698 ( 3.534 6.312 -9.342) 11.816 5.157 ( 7.290 2.499 -4.845) 9.103 5.600 ( -15.127 -9.679 3.328) 18.265 6.089 ( -6.222 0.279 1.231) 6.349 6.452 ( 5.966 6.437 -1.690) 8.938 6.641 ( 2.454 -0.484 -1.361) 2.848======================= Grid point 185 (69/215) =======================q-point: (-0.25 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.375 ( -2.395 7.136 7.532) 10.649 0.512 ( -5.571 9.720 7.676) 13.581 0.884 ( -7.836 5.534 11.350) 14.861 0.920 ( -3.086 -1.552 6.709) 7.546 1.101 ( -4.659 -1.178 2.894) 5.610 1.228 ( -0.491 3.250 3.464) 4.775 1.275 ( -2.539 3.084 3.722) 5.460 1.460 ( 1.075 -0.265 3.494) 3.665 1.474 ( -4.528 2.632 -0.752) 5.291 1.570 ( -5.666 1.361 1.470) 6.010 1.947 ( 2.417 1.221 -1.082) 2.916 2.156 ( 0.273 -7.409 1.478) 7.560 2.284 ( -5.613 1.368 -0.510) 5.800 2.505 ( -3.543 0.935 1.324) 3.896 2.948 ( -0.525 -9.309 -3.256) 9.875 3.137 ( 2.228 -21.377 17.584) 27.769 3.361 ( -0.117 3.928 -0.509) 3.963 4.280 ( 0.759 0.561 8.932) 8.981 4.734 ( 4.360 9.246 -7.130) 12.464 5.190 ( -8.974 -5.516 -4.165) 11.327 5.393 ( -6.131 -3.920 -0.155) 7.279 5.978 ( -4.727 0.054 -1.492) 4.957 6.533 ( 5.919 10.164 -5.660) 13.053 6.684 ( 1.698 0.143 -1.650) 2.372======================= Grid point 186 (70/215) =======================q-point: (-0.17 0.17 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.363 ( -0.000 6.112 12.004) 13.471 0.394 ( -0.000 9.124 11.028) 14.313 0.698 ( -0.000 17.154 17.210) 24.300 0.915 ( 0.000 -4.605 5.384) 7.085 1.072 ( 0.000 -5.384 3.052) 6.189 1.223 ( -0.000 3.070 5.644) 6.425 1.257 ( -0.000 3.287 2.319) 4.023 1.394 ( -0.000 4.576 -1.330) 4.766 1.488 ( 0.000 -0.052 5.976) 5.976 1.490 ( 0.000 -0.024 -0.697) 0.697 1.970 ( -0.000 1.061 -1.710) 2.012 2.195 ( 0.000 -6.584 1.215) 6.695 2.218 ( -0.000 1.262 0.148) 1.271 2.466 ( 0.000 -0.683 -0.776) 1.034 2.982 ( 0.000 -7.521 -3.978) 8.508 3.296 ( 0.000 -11.038 6.079) 12.601 3.398 ( 0.000 -27.039 24.536) 36.512 4.306 ( 0.000 -0.059 11.981) 11.981 4.867 ( 0.000 -0.048 4.055) 4.055 4.887 ( -0.000 6.185 -15.153) 16.367 5.370 ( -0.000 3.056 -1.702) 3.498 5.929 ( 0.000 -0.015 -2.840) 2.840 6.550 ( -0.000 13.715 -10.571) 17.316 6.699 ( -0.000 0.473 -1.785) 1.847======================= Grid point 191 (71/215) =======================q-point: ( 0.25 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( -7.227 -0.000 -0.967) 7.292 1.067 ( 4.501 0.000 -4.565) 6.411 1.173 ( -1.133 -0.000 1.493) 1.874 1.268 ( -4.611 -0.000 5.990) 7.559 1.335 ( 2.719 0.000 -4.523) 5.277 1.340 ( 2.958 0.000 7.249) 7.830 1.517 ( 4.783 0.000 3.008) 5.650 1.700 ( -3.528 -0.000 -1.204) 3.728 1.749 ( -1.242 -0.000 -1.428) 1.893 1.967 ( -0.758 -0.000 -0.670) 1.012 2.171 ( 1.139 0.000 1.852) 2.174 2.262 ( 0.523 0.000 -1.286) 1.388 2.714 ( 1.367 0.000 1.472) 2.009 2.858 ( 0.777 0.000 -1.955) 2.104 3.183 ( -2.550 -0.000 -4.536) 5.204 3.233 ( -2.643 -0.000 -4.550) 5.262 4.078 ( 16.003 0.000 -18.026) 24.105 4.110 ( -14.569 -0.000 -16.694) 22.158 4.584 ( -2.846 -0.000 0.852) 2.971 4.614 ( 4.198 0.000 0.194) 4.202 6.158 ( 1.313 0.000 3.281) 3.534 6.298 ( 1.906 0.000 5.892) 6.192 6.354 ( -4.228 -0.000 3.578) 5.539 6.566 ( 0.286 0.000 -1.350) 1.380======================= Grid point 192 (72/215) =======================q-point: (-0.67 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( -8.355 -0.630 0.744) 8.412 1.116 ( -2.049 -0.297 -1.847) 2.775 1.142 ( 0.102 -0.018 -0.718) 0.725 1.180 ( -4.699 -0.189 5.257) 7.054 1.354 ( -0.295 1.615 -1.413) 2.166 1.374 ( 0.342 -1.199 4.132) 4.316 1.591 ( 2.161 1.829 0.507) 2.876 1.644 ( -1.382 -1.078 -1.601) 2.374 1.721 ( -1.515 -0.617 -0.528) 1.719 1.957 ( -0.470 -0.252 1.343) 1.445 2.160 ( -2.051 -0.049 2.435) 3.184 2.209 ( -5.982 0.401 -1.361) 6.147 2.738 ( 1.218 0.540 1.625) 2.102 2.840 ( -2.627 0.169 -2.068) 3.347 3.117 ( -4.655 -0.804 -5.707) 7.408 3.182 ( -2.976 -0.777 -4.325) 5.307 3.842 ( -12.897 0.521 -14.178) 19.173 4.365 ( 13.356 -0.119 -18.560) 22.866 4.519 ( -3.876 -0.101 1.637) 4.209 4.700 ( 5.265 0.487 0.037) 5.288 6.197 ( 2.934 0.401 2.619) 3.954 6.236 ( -7.882 0.378 4.098) 8.891 6.318 ( -0.161 -1.023 5.673) 5.766 6.568 ( -0.067 0.033 -1.430) 1.431======================= Grid point 193 (73/215) =======================q-point: (-0.58 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( -6.867 -1.254 1.958) 7.250 1.030 ( -6.097 -1.084 1.750) 6.435 1.079 ( -5.409 1.109 3.407) 6.488 1.133 ( -2.625 -0.607 -0.053) 2.695 1.326 ( -1.222 2.269 -0.762) 2.687 1.375 ( -0.397 -1.719 2.112) 2.752 1.575 ( -2.836 1.414 -1.097) 3.354 1.647 ( 0.537 -1.551 -1.203) 2.035 1.707 ( -0.584 0.167 0.869) 1.061 1.944 ( -1.127 0.858 2.497) 2.871 2.041 ( -10.576 1.061 0.459) 10.639 2.109 ( -3.065 -1.495 2.908) 4.482 2.742 ( -2.441 2.817 -0.432) 3.752 2.764 ( -2.884 0.597 -0.000) 2.945 3.012 ( -7.006 -3.635 -6.740) 10.378 3.122 ( -4.347 -3.181 -3.819) 6.603 3.629 ( -8.592 1.584 -10.231) 13.454 4.439 ( -4.412 -0.114 2.915) 5.289 4.566 ( 7.390 0.139 -17.030) 18.565 4.832 ( 9.239 1.444 -1.091) 9.415 6.050 ( -11.557 -0.857 4.701) 12.506 6.257 ( 2.447 2.753 3.256) 4.916 6.308 ( -0.295 -2.608 3.242) 4.171 6.569 ( 0.398 -0.096 -1.503) 1.557======================= Grid point 194 (74/215) =======================q-point: (-0.50 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( -4.762 0.776 2.074) 5.252 0.898 ( -7.755 0.702 4.614) 9.051 0.970 ( -5.230 -0.381 1.890) 5.574 1.066 ( -3.990 -0.785 2.875) 4.980 1.285 ( -2.339 1.247 -0.903) 2.801 1.385 ( 0.683 -0.955 1.446) 1.863 1.484 ( -5.645 0.567 1.515) 5.872 1.648 ( -2.472 -0.895 -0.948) 2.794 1.680 ( -2.361 1.782 1.299) 3.230 1.795 ( -10.837 3.173 2.375) 11.539 1.929 ( -1.041 1.828 2.538) 3.296 2.073 ( -2.149 -4.853 2.475) 5.857 2.609 ( -8.048 1.965 -2.170) 8.564 2.722 ( -2.746 4.983 0.836) 5.751 2.910 ( -5.508 -7.506 -5.482) 10.804 3.043 ( -5.922 -6.877 -1.428) 9.187 3.499 ( -4.255 2.648 -6.347) 8.087 4.358 ( -3.914 -0.104 4.521) 5.981 4.669 ( 4.644 1.619 -13.570) 14.434 5.019 ( 10.328 2.265 -3.137) 11.029 5.805 ( -14.932 -3.487 4.895) 16.096 6.205 ( -5.064 0.550 3.672) 6.280 6.386 ( 6.121 1.436 -0.213) 6.291 6.591 ( 1.750 -0.431 -1.231) 2.182======================= Grid point 195 (75/215) =======================q-point: (-0.42 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( -4.299 5.319 2.235) 7.195 0.738 ( -7.351 4.562 6.555) 10.854 0.894 ( -3.882 -4.344 3.565) 6.830 1.005 ( -2.591 -0.633 4.548) 5.272 1.227 ( -3.089 1.570 0.240) 3.473 1.359 ( -4.440 3.055 4.597) 7.084 1.407 ( -2.461 0.256 0.894) 2.630 1.485 ( -9.350 3.694 5.666) 11.540 1.588 ( -4.018 2.730 -0.205) 4.862 1.683 ( -3.824 -0.014 0.897) 3.928 1.924 ( 1.405 1.849 0.393) 2.355 2.065 ( -1.599 -7.417 2.070) 7.865 2.440 ( -8.190 1.790 -1.775) 8.569 2.623 ( -4.794 4.139 1.138) 6.435 2.858 ( -4.240 -9.352 -3.814) 10.954 2.980 ( -3.838 -9.808 4.625) 11.503 3.431 ( -1.744 3.275 -3.713) 5.249 4.298 ( -2.109 0.092 6.431) 6.768 4.746 ( 4.740 4.371 -11.489) 13.174 5.182 ( 7.104 3.107 -2.922) 8.286 5.522 ( -16.526 -7.919 4.441) 18.856 6.090 ( -6.402 0.069 1.094) 6.495 6.501 ( 7.052 4.543 -1.992) 8.622 6.636 ( 2.588 -0.575 -1.267) 2.939======================= Grid point 196 (76/215) =======================q-point: (-0.33 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.442 ( -2.000 7.684 6.612) 10.333 0.586 ( -5.902 6.932 8.892) 12.726 0.857 ( -2.139 -5.501 5.571) 8.117 0.962 ( -1.727 3.685 6.874) 7.988 1.118 ( -7.829 6.132 4.452) 10.895 1.258 ( -1.187 3.424 3.570) 5.087 1.302 ( -2.038 2.882 3.959) 5.304 1.455 ( 0.743 -0.757 4.112) 4.247 1.500 ( -3.362 2.971 -1.304) 4.673 1.586 ( -5.501 2.199 0.572) 5.951 1.955 ( 1.842 0.293 -1.869) 2.640 2.084 ( -0.046 -8.668 1.873) 8.868 2.297 ( -5.614 1.562 -0.779) 5.879 2.514 ( -4.935 1.113 0.181) 5.062 2.852 ( -0.878 -12.164 3.242) 12.620 2.987 ( -0.540 -12.211 11.739) 16.947 3.396 ( -0.473 3.584 -1.853) 4.062 4.285 ( 1.012 0.593 9.025) 9.101 4.805 ( 4.012 6.943 -8.719) 11.846 5.141 ( -13.751 -5.349 -1.309) 14.813 5.370 ( 0.599 -1.691 0.857) 1.988 5.978 ( -4.769 -0.013 -1.537) 5.011 6.606 ( 5.960 6.332 -5.306) 10.187 6.685 ( 2.070 0.073 -1.765) 2.722======================= Grid point 197 (77/215) =======================q-point: (-0.25 0.25 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.421 ( -0.000 6.832 10.272) 12.336 0.466 ( -0.000 7.320 12.068) 14.115 0.851 ( -0.000 5.476 7.811) 9.540 0.888 ( -0.000 9.680 9.408) 13.498 1.024 ( 0.000 -5.468 3.392) 6.435 1.250 ( -0.000 3.050 5.470) 6.262 1.283 ( -0.000 2.633 2.308) 3.501 1.437 ( -0.000 4.158 -0.969) 4.269 1.490 ( 0.000 -0.029 -0.734) 0.734 1.493 ( -0.000 1.818 4.336) 4.702 1.976 ( -0.000 0.028 -3.061) 3.061 2.127 ( 0.000 -8.493 1.280) 8.588 2.231 ( -0.000 1.549 0.082) 1.552 2.459 ( 0.000 -0.879 -0.778) 1.173 2.904 ( 0.000 -10.707 1.764) 10.852 3.068 ( 0.000 -22.166 24.152) 32.782 3.377 ( -0.000 3.435 -0.138) 3.438 4.309 ( -0.000 0.575 11.610) 11.625 4.867 ( 0.000 -0.056 4.058) 4.059 4.921 ( -0.000 2.302 -14.428) 14.611 5.390 ( -0.000 1.541 0.240) 1.559 5.928 ( 0.000 -0.017 -2.839) 2.839 6.643 ( -0.000 7.337 -8.947) 11.571 6.704 ( -0.000 0.829 -2.295) 2.440======================= Grid point 204 (78/215) =======================q-point: (-0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( -6.662 -0.000 2.480) 7.109 1.025 ( -6.079 -0.000 1.119) 6.181 1.084 ( -5.330 -0.000 5.066) 7.353 1.130 ( -2.589 -0.000 -1.479) 2.982 1.339 ( -1.755 -0.000 -2.029) 2.683 1.365 ( 0.008 0.000 3.347) 3.347 1.581 ( -3.593 -0.000 -0.967) 3.720 1.640 ( 0.869 0.000 -1.788) 1.988 1.708 ( -0.161 -0.000 1.069) 1.081 1.948 ( -0.463 -0.000 2.615) 2.656 2.047 ( -10.603 -0.000 0.135) 10.604 2.102 ( -3.649 -0.000 3.262) 4.895 2.759 ( -5.799 -0.000 -2.141) 6.182 2.763 ( 1.170 0.000 1.755) 2.109 2.995 ( -7.682 -0.000 -6.859) 10.298 3.107 ( -4.762 -0.000 -3.797) 6.090 3.636 ( -8.492 -0.000 -10.081) 13.181 4.439 ( -4.402 -0.000 2.925) 5.285 4.567 ( 7.552 0.000 -17.232) 18.814 4.838 ( 9.302 0.000 -0.942) 9.350 6.046 ( -11.874 -0.000 4.686) 12.765 6.277 ( 5.182 0.000 1.214) 5.323 6.289 ( -2.768 -0.000 5.288) 5.969 6.569 ( 0.348 0.000 -1.507) 1.546======================= Grid point 206 (79/215) =======================q-point: (-0.58 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.645 ( -3.391 0.419 3.184) 4.670 0.896 ( -7.282 -0.468 3.055) 7.911 0.974 ( -5.836 0.638 4.694) 7.517 1.060 ( -4.041 -0.431 0.723) 4.127 1.293 ( -2.733 0.488 -1.417) 3.117 1.379 ( 1.111 -0.394 1.769) 2.126 1.488 ( -5.511 0.276 2.038) 5.882 1.642 ( -1.807 -0.388 -1.352) 2.290 1.690 ( -1.710 0.521 0.733) 1.933 1.818 ( -11.530 1.480 2.116) 11.816 1.945 ( -0.085 1.364 2.349) 2.717 2.037 ( -3.378 -2.676 3.229) 5.385 2.622 ( -8.122 0.874 -2.247) 8.472 2.766 ( -1.289 4.189 0.399) 4.401 2.851 ( -6.943 -5.061 -4.968) 9.924 3.000 ( -6.700 -2.610 -1.408) 7.326 3.515 ( -4.256 0.900 -6.267) 7.629 4.358 ( -3.877 -0.029 4.539) 5.969 4.679 ( 5.126 0.523 -14.420) 15.313 5.033 ( 10.469 0.873 -2.368) 10.769 5.784 ( -15.783 -1.245 5.025) 16.611 6.208 ( -5.445 0.156 3.553) 6.503 6.395 ( 7.061 0.515 -0.202) 7.083 6.588 ( 1.663 -0.163 -1.197) 2.055======================= Grid point 207 (80/215) =======================q-point: (-0.50 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( -2.557 4.209 3.000) 5.766 0.759 ( -6.775 0.375 6.536) 9.421 0.869 ( -4.834 -1.100 4.683) 6.820 0.997 ( -2.644 -0.850 2.611) 3.812 1.239 ( -2.270 0.998 -0.127) 2.483 1.381 ( -3.378 1.994 4.374) 5.876 1.405 ( -0.588 -0.499 1.573) 1.751 1.513 ( -10.051 2.314 3.805) 10.993 1.620 ( -3.919 4.251 0.430) 5.797 1.678 ( -3.545 -1.300 0.764) 3.853 1.940 ( 0.474 1.848 0.556) 1.987 2.003 ( -2.165 -6.099 2.444) 6.918 2.455 ( -8.359 1.314 -2.104) 8.719 2.664 ( -5.583 5.044 -0.399) 7.534 2.779 ( -5.496 -8.270 -2.341) 10.202 2.913 ( -3.102 -5.201 4.733) 7.686 3.453 ( -1.839 1.697 -3.811) 4.559 4.299 ( -1.966 0.085 6.483) 6.775 4.775 ( 5.517 2.170 -13.091) 14.371 5.208 ( 7.806 2.586 -1.528) 8.364 5.464 ( -18.234 -4.939 5.127) 19.574 6.090 ( -6.477 0.005 1.036) 6.559 6.532 ( 7.629 2.402 -2.130) 8.277 6.631 ( 2.598 -0.466 -1.161) 2.883======================= Grid point 208 (81/215) =======================q-point: (-0.42 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( -1.954 6.982 5.956) 9.383 0.633 ( -5.759 3.604 9.372) 11.576 0.811 ( -2.424 -4.590 6.206) 8.090 0.966 ( -1.077 -1.431 3.956) 4.342 1.192 ( -3.016 8.314 3.057) 9.358 1.292 ( -3.457 4.524 4.203) 7.077 1.324 ( -2.052 2.025 4.157) 5.059 1.448 ( 0.652 -0.781 4.360) 4.477 1.525 ( -3.740 2.871 -0.891) 4.799 1.604 ( -4.457 1.425 -0.698) 4.731 1.949 ( 0.440 -1.774 -0.502) 1.896 2.013 ( 0.289 -6.462 1.158) 6.571 2.310 ( -5.702 1.307 -1.020) 5.938 2.525 ( -6.646 1.138 -1.057) 6.825 2.750 ( -1.102 -9.886 7.608) 12.523 2.910 ( -0.463 -5.947 6.943) 9.153 3.422 ( -0.591 2.318 -2.239) 3.276 4.290 ( 1.174 0.442 9.083) 9.169 4.857 ( 3.982 4.726 -10.962) 12.583 5.099 ( -16.042 -4.050 1.880) 16.652 5.360 ( 3.747 -0.707 1.036) 3.952 5.978 ( -4.772 -0.025 -1.556) 5.019 6.648 ( 5.288 3.524 -4.348) 7.700 6.684 ( 2.625 -0.155 -2.044) 3.331======================= Grid point 209 (82/215) =======================q-point: (-0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( -0.000 6.072 8.933) 10.801 0.527 ( -0.000 6.562 11.717) 13.430 0.813 ( 0.000 -5.835 6.931) 9.060 0.978 ( 0.000 -4.815 3.755) 6.106 1.057 ( -0.000 19.811 7.097) 21.044 1.275 ( -0.000 2.456 5.366) 5.902 1.303 ( -0.000 1.813 2.327) 2.949 1.454 ( -0.000 0.267 3.188) 3.200 1.490 ( 0.000 -0.026 -0.775) 0.776 1.526 ( -0.000 4.698 -1.088) 4.822 1.966 ( 0.000 -2.473 -1.689) 2.995 2.053 ( 0.000 -7.521 0.183) 7.524 2.244 ( -0.000 1.446 0.018) 1.446 2.451 ( 0.000 -0.863 -0.779) 1.163 2.797 ( 0.000 -11.835 11.968) 16.832 2.939 ( 0.000 -8.737 10.809) 13.898 3.406 ( -0.000 2.847 -1.372) 3.160 4.315 ( -0.000 0.605 11.519) 11.535 4.866 ( 0.000 -0.049 4.062) 4.062 4.935 ( -0.000 0.972 -14.118) 14.151 5.400 ( -0.000 0.779 1.405) 1.607 5.928 ( 0.000 -0.015 -2.838) 2.838 6.685 ( -0.000 2.627 -4.833) 5.501 6.715 ( -0.000 1.627 -4.319) 4.616======================= Grid point 218 (83/215) =======================q-point: (-0.58 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( -1.620 -0.000 3.458) 3.819 0.757 ( -6.828 -0.000 5.520) 8.780 0.867 ( -5.278 -0.000 6.194) 8.138 0.993 ( -2.732 -0.000 1.665) 3.199 1.243 ( -1.974 -0.000 -0.260) 1.992 1.392 ( -4.118 -0.000 4.929) 6.423 1.401 ( 0.830 0.000 1.282) 1.528 1.523 ( -9.506 -0.000 2.724) 9.889 1.652 ( -2.246 -0.000 -0.057) 2.247 1.662 ( -5.278 -0.000 1.563) 5.504 1.959 ( 0.866 0.000 0.269) 0.907 1.964 ( -3.219 -0.000 3.079) 4.455 2.461 ( -8.449 -0.000 -2.247) 8.742 2.711 ( -7.656 -0.000 -3.657) 8.485 2.717 ( -4.254 -0.000 0.663) 4.306 2.890 ( -2.675 -0.000 4.995) 5.666 3.461 ( -1.869 -0.000 -3.833) 4.264 4.300 ( -1.916 -0.000 6.500) 6.777 4.784 ( 5.789 0.000 -13.678) 14.852 5.221 ( 8.636 0.000 -1.071) 8.702 5.441 ( -19.409 -0.000 5.408) 20.148 6.090 ( -6.497 -0.000 1.020) 6.577 6.543 ( 7.849 0.000 -2.184) 8.147 6.629 ( 2.548 0.000 -1.104) 2.777======================= Grid point 220 (84/215) =======================q-point: (-0.50 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( -2.196 3.708 5.524) 7.006 0.648 ( -4.549 0.104 8.868) 9.967 0.783 ( -3.496 -1.587 7.448) 8.379 0.953 ( -1.775 -1.003 3.299) 3.878 1.239 ( 1.777 2.305 1.232) 3.161 1.332 ( -3.667 2.926 4.644) 6.601 1.338 ( -3.426 1.204 3.521) 5.058 1.443 ( 0.619 -0.342 4.441) 4.497 1.552 ( -5.021 2.860 0.190) 5.782 1.603 ( -3.659 -1.372 -1.513) 4.190 1.928 ( -0.686 -1.977 2.182) 3.024 1.979 ( 0.792 -1.576 -0.842) 1.955 2.318 ( -5.813 0.524 -1.154) 5.949 2.533 ( -8.347 0.611 -2.006) 8.606 2.688 ( -0.222 -3.728 8.243) 9.050 2.876 ( -0.194 -1.943 6.101) 6.406 3.436 ( -0.639 0.796 -2.373) 2.583 4.293 ( 1.256 0.163 9.113) 9.201 4.887 ( 4.631 1.841 -13.364) 14.263 5.072 ( -17.561 -1.650 4.718) 18.259 5.356 ( 4.971 -0.197 1.066) 5.088 5.978 ( -4.767 -0.011 -1.564) 5.017 6.671 ( 4.345 1.721 -3.365) 5.758 6.681 ( 3.430 -0.678 -2.595) 4.354======================= Grid point 221 (85/215) =======================q-point: (-0.42 0.42 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.524 ( -0.000 3.750 8.076) 8.904 0.580 ( -0.000 5.145 10.854) 12.012 0.764 ( 0.000 -4.914 7.791) 9.212 0.942 ( 0.000 -3.028 4.064) 5.068 1.213 ( -0.000 14.330 4.266) 14.952 1.292 ( -0.000 1.381 5.217) 5.397 1.315 ( -0.000 0.921 2.352) 2.526 1.454 ( -0.000 0.017 4.603) 4.603 1.489 ( 0.000 -0.016 -0.809) 0.810 1.554 ( -0.000 0.893 -2.741) 2.883 1.937 ( 0.000 -3.065 1.145) 3.272 2.002 ( 0.000 -4.019 -1.610) 4.330 2.255 ( -0.000 0.893 -0.028) 0.893 2.445 ( 0.000 -0.555 -0.781) 0.958 2.715 ( 0.000 -6.270 12.949) 14.387 2.887 ( 0.000 -3.686 6.565) 7.529 3.425 ( -0.000 1.515 -1.721) 2.293 4.319 ( -0.000 0.367 11.508) 11.514 4.866 ( 0.000 -0.028 4.064) 4.064 4.940 ( -0.000 0.375 -14.034) 14.039 5.405 ( -0.000 0.338 2.006) 2.035 5.928 ( 0.000 -0.009 -2.837) 2.837 6.698 ( -0.000 0.637 -2.331) 2.416 6.729 ( -0.000 1.184 -5.446) 5.573======================= Grid point 233 (86/215) =======================q-point: ( 0.50 -0.50 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( -0.000 0.000 7.772) 7.772 0.607 ( -0.000 0.000 10.339) 10.339 0.738 ( -0.000 0.000 8.254) 8.254 0.928 ( -0.000 0.000 4.193) 4.193 1.284 ( -0.000 0.000 3.697) 3.697 1.298 ( 0.000 -0.000 4.254) 4.254 1.319 ( -0.000 0.000 2.364) 2.364 1.456 ( -0.000 0.000 5.143) 5.143 1.489 ( -0.000 0.000 -0.823) 0.823 1.551 ( -0.000 0.000 -2.523) 2.523 1.924 ( -0.000 0.000 1.125) 1.125 1.983 ( -0.000 0.000 -1.305) 1.305 2.259 ( -0.000 0.000 -0.044) 0.044 2.442 ( -0.000 0.000 -0.782) 0.782 2.688 ( -0.000 0.000 12.221) 12.221 2.871 ( -0.000 0.000 5.994) 5.994 3.432 ( -0.000 0.000 -1.811) 1.811 4.321 ( -0.000 0.000 11.510) 11.510 4.866 ( -0.000 0.000 4.065) 4.065 4.942 ( -0.000 0.000 -14.022) 14.022 5.406 ( -0.000 0.000 2.193) 2.193 5.928 ( -0.000 0.000 -2.837) 2.837 6.700 ( -0.000 0.000 -1.923) 1.923 6.734 ( -0.000 0.000 -5.398) 5.398======================= Grid point 302 (87/215) =======================q-point: ( 0.00 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 0.000 0.000 11.975) 11.975 0.579 ( 0.000 0.000 12.978) 12.978 1.006 ( 0.000 0.000 14.366) 14.366 1.099 ( 0.000 0.000 12.631) 12.631 1.197 ( 0.000 0.000 2.281) 2.281 1.273 ( 0.000 0.000 3.885) 3.885 1.323 ( 0.000 0.000 6.347) 6.347 1.349 ( 0.000 0.000 1.203) 1.203 1.476 ( 0.000 0.000 -0.555) 0.555 1.647 ( 0.000 0.000 8.856) 8.856 2.015 ( 0.000 0.000 4.340) 4.340 2.215 ( 0.000 0.000 0.740) 0.740 2.281 ( 0.000 0.000 1.437) 1.437 2.448 ( 0.000 0.000 -1.647) 1.647 2.916 ( 0.000 0.000 -6.476) 6.476 3.249 ( 0.000 0.000 -2.019) 2.019 4.064 ( 0.000 0.000 -3.470) 3.470 4.406 ( 0.000 0.000 -8.940) 8.940 4.672 ( 0.000 0.000 9.994) 9.994 4.984 ( 0.000 0.000 7.314) 7.314 5.216 ( 0.000 0.000 -4.326) 4.326 5.845 ( 0.000 0.000 -5.461) 5.461 6.365 ( 0.000 0.000 2.485) 2.485 6.648 ( 0.000 0.000 -2.851) 2.851======================= Grid point 303 (88/215) =======================q-point: ( 0.08 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( -2.227 -1.137 13.250) 13.484 0.542 ( 3.967 -3.209 10.827) 11.969 1.091 ( 3.280 0.910 5.699) 6.638 1.150 ( 6.809 -1.026 11.882) 13.733 1.209 ( 0.365 3.325 8.045) 8.713 1.251 ( 3.208 -3.005 4.059) 5.983 1.324 ( 0.296 -0.933 4.724) 4.824 1.448 ( 6.546 -0.242 0.958) 6.620 1.484 ( 0.505 -0.598 0.456) 0.906 1.668 ( 2.371 0.178 7.437) 7.808 2.000 ( -1.177 0.411 5.089) 5.240 2.265 ( 1.697 0.997 0.981) 2.200 2.268 ( 2.271 0.188 0.818) 2.421 2.498 ( 4.549 0.046 -1.344) 4.744 2.902 ( -1.041 1.114 -7.349) 7.506 3.244 ( -0.763 -0.844 -2.424) 2.677 3.783 ( -20.725 8.591 4.975) 22.980 4.406 ( -1.242 -3.571 -10.270) 10.943 4.473 ( -5.468 -0.396 10.096) 11.489 5.134 ( -7.321 -0.659 -5.526) 9.196 5.408 ( 24.305 0.886 0.267) 24.322 5.932 ( 7.997 0.028 -3.292) 8.648 6.359 ( -1.197 -2.528 2.137) 3.520 6.637 ( -1.200 -0.052 -2.769) 3.018======================= Grid point 304 (89/215) =======================q-point: ( 0.17 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 3.159 -1.510 8.851) 9.519 0.675 ( 7.550 -4.535 7.773) 11.747 1.123 ( 1.158 1.892 6.143) 6.531 1.181 ( 2.124 0.817 4.577) 5.111 1.278 ( 1.264 1.222 5.272) 5.557 1.377 ( 5.225 -0.024 1.063) 5.332 1.403 ( 8.070 -0.422 5.668) 9.870 1.493 ( 1.831 -3.565 3.689) 5.447 1.582 ( 6.907 -0.434 2.342) 7.306 1.731 ( 3.633 0.211 4.094) 5.477 1.979 ( -0.332 0.414 6.469) 6.491 2.233 ( -1.479 2.066 1.244) 2.829 2.392 ( 7.481 -0.313 -0.456) 7.501 2.590 ( 4.261 -0.495 0.163) 4.293 2.880 ( 0.202 2.663 -9.837) 10.193 3.228 ( -1.383 -1.349 -3.458) 3.960 3.427 ( -11.419 6.292 4.399) 13.760 4.378 ( -2.971 -1.896 -13.709) 14.155 4.439 ( 0.240 -0.052 6.314) 6.319 4.978 ( -9.072 -2.852 -6.175) 11.339 5.782 ( 16.437 3.863 1.833) 16.984 6.107 ( 9.466 0.063 0.240) 9.470 6.341 ( -1.962 -3.416 1.427) 4.190 6.605 ( -1.976 0.062 -2.567) 3.240======================= Grid point 305 (90/215) =======================q-point: ( 0.25 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 6.633 -0.937 3.746) 7.675 0.853 ( 8.610 -4.130 4.363) 10.499 1.135 ( 1.600 2.782 4.268) 5.340 1.241 ( 3.875 2.088 6.646) 7.971 1.284 ( 0.078 -0.451 3.148) 3.181 1.432 ( -0.325 0.976 0.686) 1.237 1.469 ( 3.925 0.964 -0.338) 4.056 1.617 ( 4.990 -2.703 0.435) 5.691 1.726 ( 5.747 0.660 3.857) 6.953 1.786 ( 3.623 -1.386 2.374) 4.547 2.005 ( 3.243 -0.012 7.101) 7.806 2.200 ( -0.924 1.403 1.100) 2.008 2.541 ( 7.587 -0.220 -1.106) 7.670 2.658 ( 2.744 -1.272 0.565) 3.076 2.902 ( 3.623 4.324 -12.115) 13.364 3.196 ( -2.043 1.734 -4.172) 4.958 3.285 ( -2.627 -0.224 -3.471) 4.359 4.298 ( -6.029 -0.028 -19.842) 20.738 4.462 ( 1.989 0.237 4.693) 5.103 4.831 ( -7.520 -3.779 -3.863) 9.260 6.031 ( 11.863 3.966 4.580) 13.321 6.262 ( 4.578 -1.219 4.417) 6.477 6.329 ( 1.148 -1.636 -0.302) 2.021 6.565 ( -2.019 0.234 -2.410) 3.153======================= Grid point 306 (91/215) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.790 ( 6.965 -0.349 1.434) 7.120 1.019 ( 6.534 -2.590 0.747) 7.068 1.162 ( 2.370 2.760 2.949) 4.683 1.257 ( -1.281 1.194 1.701) 2.441 1.315 ( 3.050 1.640 5.901) 6.842 1.441 ( 1.703 -0.016 1.657) 2.376 1.515 ( 0.947 -0.982 0.422) 1.428 1.685 ( 1.628 0.987 -1.704) 2.554 1.729 ( -0.822 2.587 -0.104) 2.717 1.905 ( 3.714 -3.422 -0.331) 5.061 2.089 ( 5.217 0.066 5.555) 7.621 2.199 ( 1.396 0.198 2.786) 3.122 2.669 ( 5.197 -0.133 -1.197) 5.335 2.718 ( 2.938 -2.191 0.227) 3.672 2.967 ( 5.091 6.199 -13.162) 15.414 3.150 ( -1.129 3.736 -6.081) 7.226 3.297 ( 2.231 -5.532 -10.413) 12.000 4.143 ( -9.944 0.778 -24.363) 26.325 4.507 ( 2.738 0.153 3.143) 4.171 4.728 ( -4.808 -2.851 -1.112) 5.699 6.200 ( 6.210 2.399 4.684) 8.140 6.280 ( 0.794 -1.817 4.387) 4.815 6.415 ( 4.470 0.518 2.958) 5.385 6.532 ( -1.142 0.213 -2.577) 2.827======================= Grid point 307 (92/215) =======================q-point: ( 0.42 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.917 ( 6.116 -0.454 0.588) 6.161 1.090 ( -0.258 1.095 -1.082) 1.561 1.199 ( 2.011 0.841 1.839) 2.852 1.230 ( -0.421 -0.554 -1.153) 1.346 1.366 ( 3.185 2.216 5.426) 6.670 1.472 ( 0.510 0.171 3.677) 3.716 1.534 ( 0.927 -3.095 1.709) 3.655 1.659 ( -1.757 3.449 -2.908) 4.841 1.731 ( 0.818 1.053 -1.571) 2.061 1.938 ( -0.600 -2.120 -3.273) 3.945 2.183 ( 3.780 -0.564 3.526) 5.200 2.238 ( 2.103 0.236 3.075) 3.732 2.731 ( 1.500 -0.998 0.963) 2.043 2.787 ( 2.875 -1.095 -1.309) 3.343 3.020 ( 2.691 4.658 -11.564) 12.754 3.121 ( -0.500 2.443 -7.067) 7.494 3.425 ( 8.572 -5.074 -18.874) 21.342 3.921 ( -12.350 1.201 -24.987) 27.898 4.561 ( 2.826 0.132 1.800) 3.353 4.664 ( -3.137 -1.352 0.086) 3.418 6.222 ( -0.693 -0.281 2.445) 2.557 6.364 ( 4.881 0.246 6.316) 7.986 6.459 ( 0.649 1.103 4.227) 4.417 6.526 ( 0.369 -0.263 -2.080) 2.129======================= Grid point 308 (93/215) =======================q-point: (-0.50 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 334Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 0.000 0.000 -1.166) 1.166 1.029 ( 0.000 -0.000 1.040) 1.040 1.215 ( 0.000 -0.000 2.367) 2.367 1.237 ( 0.000 -0.000 -4.495) 4.495 1.401 ( 0.000 -0.000 4.994) 4.994 1.465 ( 0.000 -0.000 5.438) 5.438 1.566 ( 0.000 -0.000 1.542) 1.542 1.624 ( 0.000 -0.000 -3.445) 3.445 1.736 ( 0.000 -0.000 -1.801) 1.801 1.933 ( 0.000 -0.000 -3.917) 3.917 2.222 ( 0.000 0.000 3.548) 3.548 2.259 ( 0.000 -0.000 1.635) 1.635 2.747 ( 0.000 -0.000 1.698) 1.698 2.819 ( 0.000 -0.000 -1.780) 1.780 3.034 ( 0.000 0.000 -10.592) 10.592 3.111 ( 0.000 -0.000 -7.089) 7.089 3.607 ( 0.000 -0.000 -26.661) 26.661 3.715 ( -0.000 0.000 -20.594) 20.594 4.611 ( 0.000 0.000 0.650) 0.650 4.614 ( -0.000 -0.000 0.952) 0.952 6.215 ( 0.000 -0.000 2.337) 2.337 6.418 ( 0.000 -0.000 5.196) 5.196 6.455 ( 0.000 0.000 5.314) 5.314 6.532 ( 0.000 -0.000 -1.531) 1.531======================= Grid point 316 (94/215) =======================q-point: ( 0.08 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.542 ( 3.423 0.000 8.678) 9.329 0.653 ( 7.949 0.000 8.224) 11.437 1.131 ( 1.149 0.000 6.118) 6.225 1.184 ( 2.255 0.000 4.171) 4.742 1.284 ( 0.153 0.000 4.696) 4.698 1.379 ( 5.267 0.000 -0.628) 5.304 1.399 ( 12.162 0.000 10.323) 15.952 1.476 ( -0.938 -0.000 2.274) 2.460 1.580 ( 7.142 0.000 1.915) 7.394 1.732 ( 3.631 0.000 4.286) 5.617 1.981 ( -0.449 -0.000 6.608) 6.623 2.242 ( -1.711 -0.000 1.144) 2.058 2.390 ( 7.527 0.000 -0.440) 7.539 2.588 ( 4.135 0.000 0.321) 4.147 2.893 ( 0.362 0.000 -10.512) 10.518 3.221 ( -1.395 -0.000 -3.317) 3.598 3.457 ( -12.814 -0.000 4.104) 13.455 4.368 ( -2.298 -0.000 -13.341) 13.537 4.439 ( 0.377 0.000 6.575) 6.586 4.965 ( -9.172 -0.000 -6.520) 11.253 5.800 ( 16.371 0.000 1.161) 16.412 6.107 ( 9.428 0.000 0.341) 9.434 6.325 ( -1.629 -0.000 1.972) 2.558 6.606 ( -1.941 -0.000 -2.599) 3.244======================= Grid point 317 (95/215) =======================q-point: ( 0.17 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( 6.987 -0.196 3.143) 7.664 0.827 ( 9.285 -1.566 4.783) 10.561 1.152 ( 1.521 0.914 3.997) 4.374 1.255 ( 4.463 0.839 6.881) 8.244 1.281 ( -0.277 -0.241 2.868) 2.892 1.438 ( -0.534 0.362 0.422) 0.771 1.480 ( 2.941 0.955 1.055) 3.268 1.595 ( 6.901 -1.694 0.760) 7.147 1.730 ( 8.139 0.249 4.217) 9.170 1.779 ( 1.083 -0.383 1.725) 2.073 2.005 ( 3.212 0.019 7.282) 7.959 2.208 ( -1.451 0.483 0.789) 1.721 2.540 ( 7.714 -0.033 -1.058) 7.786 2.650 ( 2.531 -0.489 1.116) 2.809 2.931 ( 4.173 1.951 -13.783) 14.532 3.192 ( -1.778 -1.074 -4.763) 5.196 3.296 ( -4.473 1.301 -2.568) 5.319 4.298 ( -5.532 -0.050 -19.178) 19.960 4.463 ( 1.985 0.124 4.602) 5.013 4.807 ( -7.226 -1.436 -4.000) 8.383 6.057 ( 11.461 1.713 4.052) 12.276 6.252 ( 2.889 -0.812 5.107) 5.924 6.319 ( 3.195 -0.506 -0.485) 3.271 6.567 ( -1.998 0.085 -2.476) 3.183======================= Grid point 318 (96/215) =======================q-point: ( 0.25 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( 7.112 -0.058 0.685) 7.146 1.001 ( 7.523 -1.532 0.983) 7.740 1.180 ( 1.857 1.397 2.847) 3.675 1.263 ( -1.651 0.291 1.288) 2.114 1.333 ( 3.932 2.149 6.994) 8.306 1.438 ( 1.349 -0.497 1.539) 2.107 1.507 ( -0.291 -0.792 1.489) 1.712 1.689 ( 2.900 0.131 -1.702) 3.365 1.755 ( -1.078 2.717 -0.185) 2.929 1.877 ( 4.081 -2.732 -0.581) 4.945 2.090 ( 5.080 0.035 5.728) 7.657 2.200 ( 1.123 0.078 2.382) 2.635 2.671 ( 5.370 0.558 -1.060) 5.502 2.700 ( 2.720 -1.765 0.800) 3.339 3.021 ( 5.971 5.702 -15.093) 17.203 3.164 ( -1.588 -0.928 -6.735) 6.982 3.260 ( 0.935 -2.291 -9.366) 9.687 4.148 ( -9.875 0.435 -24.001) 25.956 4.509 ( 2.687 0.119 3.054) 4.070 4.707 ( -4.075 -1.720 -0.830) 4.500 6.222 ( 4.189 2.407 4.590) 6.664 6.263 ( 2.600 -2.066 4.730) 5.780 6.419 ( 4.608 0.284 2.650) 5.323 6.534 ( -1.250 0.123 -2.555) 2.848======================= Grid point 319 (97/215) =======================q-point: ( 0.33 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 5.925 -0.227 -0.178) 5.932 1.097 ( 1.079 0.534 -1.075) 1.614 1.206 ( 1.257 0.707 1.667) 2.204 1.226 ( -1.053 -0.301 -0.553) 1.227 1.389 ( 3.012 2.786 5.719) 7.039 1.473 ( -0.560 -0.204 3.977) 4.022 1.505 ( 1.754 -3.140 2.088) 4.158 1.689 ( -1.914 3.207 -2.512) 4.500 1.738 ( 0.250 0.581 -1.618) 1.737 1.919 ( 0.122 -2.114 -4.148) 4.657 2.179 ( 3.771 -0.280 4.001) 5.505 2.239 ( 2.193 0.125 2.812) 3.568 2.725 ( 1.599 -0.427 1.490) 2.227 2.778 ( 3.324 -0.983 -1.666) 3.846 3.061 ( 0.706 4.584 -10.666) 11.631 3.137 ( -1.284 0.950 -7.529) 7.696 3.384 ( 9.985 -4.059 -20.338) 23.018 3.930 ( -12.167 0.782 -24.499) 27.366 4.562 ( 2.858 0.099 1.695) 3.324 4.653 ( -2.572 -1.010 0.373) 2.788 6.220 ( -0.709 -0.199 2.776) 2.872 6.366 ( 4.606 0.185 6.234) 7.753 6.468 ( 0.778 0.855 4.140) 4.299 6.524 ( 0.225 -0.256 -2.256) 2.282======================= Grid point 320 (98/215) =======================q-point: ( 0.42 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 4.220 -0.943 -1.008) 4.440 1.039 ( -4.993 1.358 0.944) 5.260 1.214 ( -0.453 -0.190 2.316) 2.368 1.237 ( 0.818 -0.103 -4.487) 4.562 1.399 ( -1.905 -0.366 5.082) 5.440 1.465 ( 0.807 -0.028 5.255) 5.317 1.564 ( 2.126 -0.294 1.400) 2.562 1.632 ( -2.144 1.662 -3.211) 4.204 1.731 ( -0.982 -1.065 -1.922) 2.407 1.932 ( 1.050 -0.140 -3.744) 3.891 2.224 ( 0.605 0.290 3.560) 3.623 2.259 ( -0.360 -0.112 1.559) 1.604 2.748 ( 0.733 0.290 1.820) 1.983 2.817 ( 0.347 -0.412 -1.904) 1.978 3.034 ( -2.181 0.063 -10.579) 10.802 3.110 ( -1.167 -0.080 -7.174) 7.269 3.609 ( 6.741 0.418 -26.538) 27.384 3.713 ( -4.911 -0.302 -20.645) 21.223 4.609 ( -2.341 -0.348 0.944) 2.548 4.617 ( 2.841 0.341 0.659) 2.937 6.215 ( 0.167 -0.006 2.341) 2.347 6.418 ( 0.606 0.137 5.162) 5.199 6.455 ( -1.455 -0.189 5.322) 5.520 6.532 ( 0.300 0.056 -1.509) 1.540======================= Grid point 321 (99/215) =======================q-point: (-0.50 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.922 ( -6.315 0.658 1.582) 6.544 1.079 ( 1.099 -1.429 -1.354) 2.255 1.191 ( -2.415 -0.901 2.273) 3.436 1.236 ( -0.280 0.772 -1.660) 1.852 1.350 ( -2.986 -1.455 4.851) 5.879 1.471 ( -0.932 -0.195 3.635) 3.757 1.558 ( -1.112 2.293 0.726) 2.650 1.631 ( 1.027 -2.927 -3.154) 4.424 1.721 ( -0.534 -1.087 -1.392) 1.845 1.954 ( 1.183 1.564 -2.282) 3.009 2.189 ( -3.935 0.786 2.862) 4.929 2.235 ( -1.925 -0.335 3.393) 3.916 2.743 ( -1.224 1.633 0.571) 2.119 2.796 ( -2.259 0.735 -1.018) 2.585 2.981 ( -4.258 -4.119 -12.002) 13.385 3.098 ( -0.761 -2.737 -6.996) 7.551 3.470 ( -7.640 4.766 -17.260) 19.467 3.910 ( 12.673 -1.390 -25.716) 28.703 4.560 ( -2.780 -0.130 1.919) 3.380 4.676 ( 3.762 1.324 -0.232) 3.995 6.225 ( 0.681 0.293 2.039) 2.170 6.362 ( -5.266 -0.234 6.403) 8.293 6.449 ( -0.457 -1.071 4.459) 4.609 6.529 ( -0.524 0.201 -1.975) 2.053======================= Grid point 322 (100/215) =======================q-point: (-0.42 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( -6.601 0.815 2.465) 7.093 1.044 ( -4.831 2.749 0.372) 5.571 1.133 ( -3.404 -3.355 3.190) 5.746 1.242 ( -0.032 -2.145 2.905) 3.611 1.307 ( -1.770 -0.181 3.703) 4.108 1.439 ( -1.835 -0.411 1.887) 2.664 1.523 ( -2.054 0.825 -0.838) 2.367 1.666 ( 0.212 -3.211 -2.173) 3.883 1.716 ( 0.055 -0.315 0.338) 0.466 1.935 ( -3.159 3.236 -0.152) 4.525 2.089 ( -5.447 -0.081 5.315) 7.611 2.196 ( -1.830 -0.346 3.379) 3.858 2.674 ( -5.328 0.946 -1.715) 5.677 2.738 ( -2.903 2.302 -0.476) 3.735 2.915 ( -4.586 -5.536 -11.250) 13.350 3.108 ( -0.006 -5.537 -5.768) 7.995 3.348 ( -2.717 5.620 -10.273) 12.021 4.135 ( 10.051 -0.939 -24.896) 26.865 4.506 ( -2.765 -0.122 3.254) 4.272 4.755 ( 5.728 3.132 -1.465) 6.690 6.180 ( -7.799 -2.151 4.706) 9.359 6.295 ( 0.535 1.505 3.979) 4.288 6.410 ( -4.333 -0.651 3.428) 5.564 6.530 ( 1.000 -0.246 -2.604) 2.800======================= Grid point 323 (101/215) =======================q-point: (-0.33 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.667 ( -5.838 2.089 4.549) 7.690 0.897 ( -7.587 5.633 3.898) 10.222 1.103 ( -1.778 -4.417 4.742) 6.720 1.219 ( -3.360 -2.879 6.349) 7.739 1.288 ( -0.477 0.439 2.982) 3.052 1.423 ( -0.139 -0.951 0.681) 1.178 1.466 ( -3.797 0.136 -1.241) 3.997 1.635 ( -3.448 1.116 -0.465) 3.654 1.719 ( -2.718 -0.771 3.140) 4.224 1.804 ( -6.591 2.674 3.283) 7.834 2.005 ( -3.190 0.206 6.779) 7.494 2.184 ( -0.043 -2.173 1.725) 2.774 2.544 ( -7.465 0.603 -1.306) 7.602 2.671 ( -3.033 1.659 -0.462) 3.488 2.861 ( -3.184 -4.659 -9.821) 11.327 3.153 ( 1.941 -7.223 -2.349) 7.840 3.308 ( 0.657 4.059 -5.106) 6.556 4.298 ( 6.725 -0.161 -20.875) 21.932 4.460 ( -1.970 -0.151 4.876) 5.261 4.870 ( 8.053 4.897 -3.735) 10.138 5.992 ( -12.685 -4.558 5.226) 14.457 6.270 ( -6.476 0.598 3.479) 7.376 6.347 ( 1.463 2.359 0.035) 2.776 6.563 ( 2.049 -0.325 -2.291) 3.091======================= Grid point 324 (102/215) =======================q-point: (-0.25 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -2.461 3.433 8.999) 9.942 0.728 ( -6.643 7.234 6.925) 12.017 1.097 ( -1.227 -3.950 6.429) 7.645 1.169 ( -1.988 -1.780 5.539) 6.148 1.268 ( -2.375 -0.875 5.267) 5.844 1.384 ( -3.633 1.625 0.619) 4.028 1.404 ( -4.372 0.055 2.669) 5.123 1.531 ( -4.722 4.618 3.690) 7.566 1.588 ( -6.492 1.065 4.155) 7.781 1.728 ( -3.621 -0.434 3.552) 5.091 1.975 ( -0.003 -0.489 6.072) 6.091 2.207 ( 0.812 -3.882 1.569) 4.265 2.396 ( -7.376 0.639 -0.525) 7.422 2.596 ( -4.611 0.857 -0.280) 4.698 2.849 ( 0.149 -4.043 -8.181) 9.127 3.230 ( 2.330 -2.567 -2.160) 4.085 3.366 ( 7.291 -5.501 3.567) 9.806 4.397 ( 4.344 2.371 -14.636) 15.450 4.440 ( 0.104 0.119 5.786) 5.788 5.013 ( 8.864 4.918 -5.397) 11.485 5.737 ( -16.653 -5.924 3.294) 17.980 6.106 ( -9.525 -0.145 0.051) 9.527 6.380 ( 2.780 4.958 0.262) 5.690 6.604 ( 2.070 -0.127 -2.473) 3.227======================= Grid point 325 (103/215) =======================q-point: (-0.17 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( 2.391 3.193 12.928) 13.530 0.593 ( -3.614 7.977 9.575) 12.976 1.075 ( -2.688 -2.677 6.547) 7.566 1.167 ( -5.961 2.890 10.357) 12.295 1.176 ( -1.062 -3.903 7.202) 8.260 1.279 ( -2.862 3.174 4.936) 6.529 1.340 ( -0.233 2.617 4.804) 5.476 1.453 ( -5.371 0.949 0.590) 5.486 1.494 ( -1.773 1.488 0.990) 2.518 1.665 ( -2.427 -0.499 7.243) 7.655 1.993 ( 1.073 -1.052 4.811) 5.040 2.241 ( 0.717 -4.106 1.717) 4.508 2.272 ( -4.850 0.672 0.223) 4.901 2.497 ( -4.784 -0.151 -1.458) 5.004 2.885 ( 1.270 -2.685 -6.156) 6.835 3.255 ( 0.765 1.382 -2.730) 3.154 3.657 ( 15.704 -18.058 7.791) 25.167 4.449 ( 1.746 4.711 -8.931) 10.247 4.482 ( 7.051 2.149 6.805) 10.032 5.145 ( 4.933 1.721 -3.706) 6.406 5.394 ( -20.591 -2.110 0.509) 20.705 5.932 ( -7.962 -0.078 -3.299) 8.619 6.399 ( 1.653 6.065 0.310) 6.294 6.637 ( 1.267 0.130 -2.747) 3.028======================= Grid point 326 (104/215) =======================q-point: (-0.08 0.08 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( -0.000 6.571 11.161) 12.951 0.587 ( -0.000 1.935 12.746) 12.892 1.014 ( -0.000 1.743 12.725) 12.844 1.098 ( -0.000 0.057 14.045) 14.045 1.179 ( 0.000 -3.418 2.801) 4.419 1.288 ( -0.000 2.803 3.497) 4.482 1.329 ( -0.000 1.210 5.906) 6.029 1.358 ( -0.000 2.167 1.415) 2.588 1.476 ( 0.000 -0.077 -0.571) 0.576 1.646 ( 0.000 -0.360 8.784) 8.792 2.011 ( 0.000 -0.891 4.229) 4.322 2.217 ( -0.000 0.574 0.699) 0.905 2.267 ( 0.000 -3.078 1.541) 3.442 2.447 ( 0.000 -0.363 -1.643) 1.683 2.907 ( 0.000 -1.794 -5.870) 6.138 3.256 ( -0.000 1.374 -2.248) 2.634 3.950 ( 0.000 -22.210 0.818) 22.225 4.441 ( -0.000 5.715 -7.617) 9.523 4.673 ( -0.000 0.089 7.181) 7.181 4.984 ( 0.000 -0.023 7.315) 7.315 5.243 ( -0.000 5.371 -4.597) 7.069 5.845 ( 0.000 -0.007 -5.460) 5.460 6.389 ( -0.000 5.195 1.177) 5.327 6.649 ( -0.000 0.178 -2.852) 2.858======================= Grid point 329 (105/215) =======================q-point: ( 0.17 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( 7.139 0.000 0.403) 7.150 0.994 ( 7.868 0.000 1.078) 7.941 1.186 ( 1.697 0.000 2.824) 3.295 1.264 ( -1.622 -0.000 1.340) 2.104 1.345 ( 4.370 0.000 7.223) 8.442 1.435 ( 0.961 0.000 1.491) 1.774 1.503 ( -0.796 -0.000 1.872) 2.034 1.689 ( 3.304 0.000 -1.814) 3.769 1.768 ( -1.201 -0.000 -0.056) 1.203 1.863 ( 4.339 0.000 -0.758) 4.404 2.090 ( 5.036 0.000 5.792) 7.675 2.200 ( 1.032 0.000 2.239) 2.465 2.675 ( 6.204 0.000 -1.593) 6.405 2.690 ( 1.872 0.000 1.565) 2.440 3.053 ( 7.315 0.000 -17.012) 18.518 3.151 ( -2.194 -0.000 -6.298) 6.669 3.252 ( -0.134 -0.000 -8.418) 8.419 4.150 ( -9.851 -0.000 -23.873) 25.826 4.509 ( 2.659 0.000 3.019) 4.023 4.700 ( -3.790 -0.000 -0.721) 3.858 6.240 ( -1.344 -0.000 3.699) 3.935 6.247 ( 8.052 0.000 5.707) 9.870 6.420 ( 4.665 0.000 2.543) 5.313 6.534 ( -1.291 -0.000 -2.547) 2.856======================= Grid point 330 (106/215) =======================q-point: ( 0.25 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.913 ( 5.805 -0.063 -0.594) 5.836 1.100 ( 2.050 0.130 -1.175) 2.366 1.211 ( 0.804 0.345 2.049) 2.228 1.224 ( -1.502 -0.143 -0.523) 1.597 1.413 ( 2.999 2.145 6.052) 7.087 1.465 ( -2.897 -1.525 4.259) 5.372 1.486 ( 3.816 -0.831 1.898) 4.342 1.712 ( -1.168 1.587 -2.062) 2.852 1.741 ( -1.218 -0.027 -1.711) 2.101 1.904 ( 0.791 -0.965 -4.709) 4.871 2.178 ( 3.807 -0.074 4.232) 5.693 2.240 ( 2.230 0.037 2.659) 3.471 2.723 ( 1.591 -0.090 1.930) 2.503 2.771 ( 3.584 -0.406 -1.992) 4.120 3.097 ( -1.929 2.876 -8.882) 9.533 3.137 ( -0.533 -0.755 -9.012) 9.059 3.358 ( 11.163 -1.580 -21.207) 24.017 3.935 ( -12.092 0.268 -24.263) 27.111 4.562 ( 2.873 0.037 1.632) 3.304 4.647 ( -2.233 -0.375 0.545) 2.329 6.219 ( -0.719 -0.071 2.959) 3.046 6.367 ( 4.466 0.069 6.184) 7.629 6.473 ( 0.846 0.331 4.179) 4.277 6.522 ( 0.130 -0.115 -2.437) 2.443======================= Grid point 331 (107/215) =======================q-point: ( 0.33 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 4.049 -0.493 -1.389) 4.309 1.049 ( -5.396 0.926 1.459) 5.666 1.212 ( -0.799 -0.208 2.209) 2.359 1.236 ( 1.404 -0.103 -4.475) 4.691 1.395 ( -3.140 -0.359 5.234) 6.114 1.464 ( 1.356 -0.038 4.913) 5.097 1.562 ( 3.094 -0.163 1.311) 3.364 1.649 ( -3.460 2.008 -2.912) 4.948 1.718 ( -1.431 -1.544 -2.186) 3.035 1.931 ( 1.810 -0.133 -3.405) 3.859 2.227 ( 1.116 0.306 3.619) 3.799 2.258 ( -0.699 -0.131 1.377) 1.550 2.751 ( 1.342 0.330 2.120) 2.531 2.813 ( 0.511 -0.451 -2.208) 2.311 3.035 ( -3.854 0.063 -10.554) 11.235 3.110 ( -1.898 -0.080 -7.345) 7.587 3.613 ( 12.328 0.443 -26.288) 29.038 3.710 ( -9.189 -0.327 -20.752) 22.698 4.606 ( -2.286 -0.213 1.132) 2.560 4.619 ( 3.153 0.206 0.474) 3.195 6.215 ( 0.289 -0.006 2.350) 2.367 6.420 ( 1.209 0.152 5.085) 5.229 6.453 ( -2.661 -0.202 5.349) 5.977 6.533 ( 0.502 0.055 -1.468) 1.552======================= Grid point 332 (108/215) =======================q-point: (-0.58 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.928 ( -6.467 0.656 2.612) 7.005 1.066 ( 1.220 -1.236 -1.799) 2.501 1.184 ( -2.409 -0.742 2.533) 3.574 1.242 ( -0.777 0.653 -1.654) 1.940 1.341 ( -2.511 -0.742 4.059) 4.830 1.469 ( -1.212 -0.128 3.679) 3.876 1.574 ( -1.511 1.360 -0.501) 2.094 1.609 ( -0.064 -2.017 -3.220) 3.800 1.713 ( 0.243 -0.741 -1.025) 1.288 1.965 ( 1.611 0.902 -1.417) 2.327 2.196 ( -4.286 0.749 2.162) 4.858 2.232 ( -1.613 -0.353 3.737) 4.086 2.759 ( -0.740 2.077 0.453) 2.251 2.799 ( -1.574 -0.080 -0.776) 1.756 2.949 ( -5.581 -3.017 -12.382) 13.913 3.076 ( -1.954 -2.022 -7.007) 7.550 3.507 ( -7.275 3.414 -15.797) 17.724 3.898 ( 13.101 -1.175 -26.559) 29.638 4.559 ( -2.734 -0.094 2.020) 3.401 4.686 ( 4.283 0.952 -0.499) 4.416 6.227 ( 0.675 0.223 1.663) 1.809 6.360 ( -5.674 -0.161 6.468) 8.605 6.441 ( -0.228 -0.780 4.737) 4.806 6.530 ( -0.653 0.121 -1.924) 2.035======================= Grid point 333 (109/215) =======================q-point: (-0.50 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.804 ( -6.036 1.148 3.603) 7.122 1.060 ( -2.163 0.283 -0.100) 2.183 1.111 ( -5.218 -0.823 3.370) 6.266 1.222 ( -1.502 -2.354 3.660) 4.604 1.309 ( -1.003 0.421 1.924) 2.210 1.434 ( -1.889 -0.529 2.207) 2.953 1.531 ( -2.460 0.950 -1.795) 3.189 1.634 ( 0.767 -3.719 -2.585) 4.593 1.718 ( 0.032 0.449 0.450) 0.637 1.961 ( -2.383 2.547 -0.066) 3.488 2.088 ( -5.743 -0.069 5.055) 7.651 2.193 ( -2.358 -0.426 4.045) 4.701 2.685 ( -5.587 1.525 -2.409) 6.273 2.758 ( -2.845 2.281 -1.564) 3.968 2.870 ( -3.995 -4.645 -8.926) 10.826 3.059 ( -1.295 -5.215 -5.652) 7.798 3.392 ( -2.994 4.311 -9.755) 11.077 4.127 ( 10.178 -0.854 -25.482) 27.453 4.505 ( -2.761 -0.075 3.356) 4.346 4.781 ( 6.579 2.603 -1.792) 7.299 6.163 ( -9.025 -1.643 4.716) 10.315 6.307 ( 1.567 1.123 3.497) 3.993 6.404 ( -4.287 -0.626 3.986) 5.887 6.528 ( 0.866 -0.213 -2.629) 2.776======================= Grid point 334 (110/215) =======================q-point: (-0.42 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( -4.713 3.071 5.292) 7.723 0.950 ( -6.548 6.185 3.633) 9.712 1.060 ( -1.996 -5.126 5.081) 7.488 1.191 ( -3.144 -3.563 5.835) 7.525 1.292 ( -0.880 0.304 2.503) 2.670 1.416 ( -0.281 -0.628 0.698) 0.980 1.472 ( -3.169 1.285 -1.447) 3.713 1.635 ( -2.302 -1.097 -1.245) 2.838 1.713 ( -1.145 -0.475 2.220) 2.543 1.831 ( -8.090 3.301 3.670) 9.477 2.009 ( -2.911 0.565 6.367) 7.023 2.162 ( -1.301 -2.632 2.641) 3.949 2.551 ( -7.449 0.991 -1.726) 7.710 2.686 ( -3.226 1.744 -1.877) 4.120 2.822 ( -3.092 -3.969 -7.242) 8.818 3.083 ( 0.911 -8.084 -1.310) 8.240 3.345 ( -0.152 4.111 -5.500) 6.868 4.296 ( 7.332 -0.331 -21.920) 23.116 4.459 ( -1.904 -0.018 5.082) 5.427 4.913 ( 8.704 4.679 -3.702) 10.552 5.953 ( -13.656 -4.058 5.808) 15.384 6.273 ( -7.495 0.169 2.815) 8.009 6.368 ( 3.269 2.182 0.188) 3.935 6.560 ( 2.073 -0.332 -2.143) 3.000======================= Grid point 335 (111/215) =======================q-point: (-0.33 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.607 ( -1.680 4.940 8.856) 10.279 0.797 ( -5.672 8.083 6.243) 11.683 1.055 ( -1.314 -5.262 7.060) 8.903 1.149 ( -2.021 -2.772 6.165) 7.055 1.264 ( -2.129 0.072 4.343) 4.837 1.399 ( -3.356 0.830 -1.061) 3.617 1.409 ( -1.693 1.840 2.727) 3.700 1.565 ( -4.624 2.404 0.215) 5.216 1.605 ( -6.861 3.295 8.127) 11.135 1.723 ( -3.652 -0.599 2.834) 4.662 1.972 ( -0.502 -0.080 5.493) 5.517 2.166 ( -0.207 -5.179 2.159) 5.615 2.403 ( -7.278 0.917 -0.678) 7.367 2.605 ( -5.140 1.116 -0.934) 5.342 2.812 ( 0.568 -4.279 -5.994) 7.386 3.168 ( 3.617 -10.120 2.411) 11.014 3.351 ( 2.666 1.366 -0.475) 3.033 4.416 ( 5.618 1.785 -16.172) 17.212 4.441 ( 0.447 0.215 5.780) 5.802 5.061 ( 8.756 5.733 -4.678) 11.464 5.682 ( -17.031 -6.239 4.827) 18.769 6.104 ( -9.556 -0.191 -0.113) 9.559 6.424 ( 3.713 4.734 -0.857) 6.077 6.603 ( 2.187 -0.188 -2.324) 3.197======================= Grid point 336 (112/215) =======================q-point: (-0.25 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.591 ( 2.065 4.625 12.159) 13.172 0.673 ( -3.014 9.541 8.375) 13.048 1.045 ( -1.810 -3.974 7.617) 8.780 1.142 ( -1.139 -3.870 6.189) 7.388 1.199 ( -4.386 4.062 8.876) 10.701 1.307 ( -2.629 3.186 4.739) 6.287 1.368 ( -0.494 3.508 4.911) 6.056 1.466 ( -4.322 2.046 0.290) 4.791 1.509 ( -2.977 1.936 1.958) 4.055 1.660 ( -2.552 -0.726 6.768) 7.269 1.983 ( 0.849 -1.256 4.283) 4.544 2.195 ( 0.353 -6.314 2.134) 6.674 2.279 ( -4.817 1.020 0.113) 4.925 2.495 ( -5.198 -0.272 -1.673) 5.467 2.859 ( 1.710 -2.977 -4.099) 5.347 3.256 ( 1.422 -2.540 -1.864) 3.457 3.499 ( 9.844 -15.398 9.386) 20.545 4.474 ( 2.694 1.538 3.868) 4.958 4.513 ( 7.229 3.941 -8.145) 11.581 5.163 ( 0.394 2.210 -0.715) 2.356 5.373 ( -14.383 -2.385 0.348) 14.584 5.931 ( -7.902 -0.106 -3.316) 8.571 6.458 ( 2.308 6.788 -1.844) 7.403 6.639 ( 1.384 0.137 -2.701) 3.038======================= Grid point 337 (113/215) =======================q-point: (-0.17 0.17 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( -0.000 9.370 9.856) 13.599 0.612 ( -0.000 3.428 12.127) 12.603 1.026 ( -0.000 0.193 8.611) 8.613 1.111 ( -0.000 3.742 17.051) 17.456 1.144 ( 0.000 -4.285 3.506) 5.536 1.315 ( -0.000 3.098 3.174) 4.436 1.342 ( -0.000 1.762 5.023) 5.323 1.388 ( -0.000 4.434 1.873) 4.814 1.475 ( 0.000 -0.157 -0.625) 0.644 1.641 ( 0.000 -0.700 8.567) 8.595 2.000 ( 0.000 -1.466 3.886) 4.154 2.225 ( -0.000 1.042 0.589) 1.197 2.228 ( 0.000 -5.801 1.854) 6.091 2.442 ( 0.000 -0.673 -1.631) 1.764 2.888 ( 0.000 -2.500 -4.265) 4.944 3.268 ( -0.000 0.829 -2.572) 2.702 3.728 ( 0.000 -25.758 7.654) 26.871 4.486 ( -0.000 4.282 -4.375) 6.122 4.671 ( 0.000 -0.531 2.279) 2.340 4.984 ( 0.000 -0.040 7.318) 7.319 5.297 ( -0.000 6.181 -4.617) 7.715 5.845 ( 0.000 -0.012 -5.460) 5.460 6.448 ( -0.000 7.538 -1.516) 7.689 6.651 ( -0.000 0.290 -2.857) 2.871======================= Grid point 342 (114/215) =======================q-point: ( 0.25 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 3.966 0.000 -1.542) 4.255 1.054 ( -5.527 -0.000 1.685) 5.778 1.211 ( -0.931 -0.000 2.152) 2.344 1.235 ( 1.614 0.000 -4.471) 4.753 1.393 ( -3.539 -0.000 5.299) 6.373 1.464 ( 1.544 0.000 4.753) 4.997 1.561 ( 3.341 0.000 1.316) 3.591 1.660 ( -4.194 -0.000 -2.781) 5.032 1.710 ( -1.256 -0.000 -2.348) 2.663 1.930 ( 2.085 0.000 -3.240) 3.852 2.228 ( 1.342 0.000 3.671) 3.909 2.257 ( -0.865 -0.000 1.264) 1.532 2.753 ( 1.602 0.000 2.312) 2.813 2.811 ( 0.527 0.000 -2.402) 2.459 3.035 ( -4.495 -0.000 -10.540) 11.459 3.109 ( -2.120 -0.000 -7.429) 7.726 3.615 ( 14.684 0.000 -26.161) 30.000 3.709 ( -11.076 -0.000 -20.809) 23.573 4.605 ( -2.235 -0.000 1.196) 2.535 4.620 ( 3.237 0.000 0.412) 3.263 6.215 ( 0.334 0.000 2.354) 2.377 6.421 ( 1.510 0.000 5.042) 5.263 6.452 ( -3.177 -0.000 5.369) 6.238 6.533 ( 0.570 0.000 -1.448) 1.556======================= Grid point 343 (115/215) =======================q-point: (-0.67 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( -6.544 0.290 3.331) 7.349 1.058 ( 1.057 -0.498 -2.169) 2.463 1.179 ( -2.283 -0.291 2.601) 3.473 1.246 ( -1.012 0.245 -1.426) 1.765 1.337 ( -2.108 -0.209 3.444) 4.043 1.468 ( -1.378 -0.041 3.729) 3.976 1.583 ( -1.288 0.666 -1.424) 2.032 1.595 ( -1.414 -0.958 -3.167) 3.598 1.708 ( 0.900 -0.247 -0.696) 1.164 1.971 ( 1.844 0.290 -0.917) 2.080 2.201 ( -4.712 0.331 1.628) 4.997 2.230 ( -1.232 -0.175 4.051) 4.238 2.778 ( 0.144 1.905 1.014) 2.163 2.794 ( -1.479 -1.098 -1.067) 2.129 2.930 ( -6.512 -1.148 -12.763) 14.374 3.064 ( -2.681 -0.730 -7.009) 7.539 3.528 ( -7.242 1.252 -14.864) 16.581 3.890 ( 13.444 -0.472 -27.179) 30.326 4.558 ( -2.707 -0.034 2.078) 3.412 4.692 ( 4.577 0.345 -0.649) 4.635 6.229 ( 0.675 0.084 1.435) 1.588 6.359 ( -5.951 -0.056 6.498) 8.811 6.436 ( -0.060 -0.287 4.926) 4.935 6.531 ( -0.728 0.040 -1.904) 2.039======================= Grid point 344 (116/215) =======================q-point: (-0.58 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -5.447 0.927 4.608) 7.194 1.050 ( -2.051 -1.767 0.387) 2.735 1.120 ( -4.182 1.835 2.293) 5.110 1.202 ( -3.076 -1.966 4.115) 5.500 1.313 ( -0.793 0.371 0.855) 1.224 1.430 ( -1.875 -0.359 2.523) 3.164 1.541 ( -2.328 1.257 -2.270) 3.486 1.604 ( 0.697 -2.962 -2.991) 4.267 1.722 ( 0.140 0.351 0.410) 0.558 1.979 ( -1.640 1.423 -0.057) 2.171 2.088 ( -6.018 -0.035 4.832) 7.718 2.189 ( -2.828 -0.313 4.605) 5.413 2.698 ( -5.906 1.328 -3.079) 6.791 2.779 ( -3.018 2.380 -3.417) 5.143 2.833 ( -3.074 -3.770 -5.968) 7.699 3.020 ( -2.387 -3.197 -5.679) 6.940 3.422 ( -3.173 2.323 -9.275) 10.074 4.121 ( 10.286 -0.513 -25.952) 27.921 4.505 ( -2.745 -0.034 3.427) 4.391 4.800 ( 7.171 1.465 -2.017) 7.592 6.152 ( -9.811 -0.895 4.725) 10.926 6.314 ( 2.289 0.622 3.053) 3.866 6.400 ( -4.349 -0.399 4.487) 6.262 6.526 ( 0.773 -0.123 -2.645) 2.759======================= Grid point 345 (117/215) =======================q-point: (-0.50 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.718 ( -3.513 3.149 5.904) 7.557 1.000 ( -6.165 2.822 4.675) 8.236 1.021 ( -1.714 -1.189 3.954) 4.471 1.156 ( -3.296 -4.290 5.356) 7.613 1.294 ( -1.147 0.153 1.985) 2.298 1.412 ( -0.318 -0.380 0.819) 0.957 1.487 ( -2.475 2.042 -1.143) 3.406 1.619 ( -1.078 -2.268 -1.932) 3.168 1.711 ( -1.159 -0.168 1.493) 1.898 1.859 ( -8.405 2.624 3.455) 9.459 2.015 ( -2.343 0.914 5.866) 6.383 2.139 ( -2.668 -2.484 3.751) 5.230 2.561 ( -7.555 1.030 -2.324) 7.971 2.702 ( -3.063 1.697 -3.491) 4.944 2.792 ( -3.508 -2.955 -4.639) 6.523 3.018 ( 0.111 -6.220 -0.588) 6.249 3.377 ( -0.572 2.826 -5.441) 6.158 4.293 ( 7.740 -0.322 -22.734) 24.018 4.459 ( -1.816 0.043 5.243) 5.549 4.950 ( 9.304 3.330 -3.745) 10.568 5.922 ( -14.502 -2.795 6.256) 16.039 6.274 ( -7.935 0.014 2.459) 8.308 6.384 ( 4.340 1.456 0.175) 4.581 6.557 ( 2.082 -0.249 -2.005) 2.901======================= Grid point 346 (118/215) =======================q-point: (-0.42 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -1.057 5.432 8.480) 10.126 0.865 ( -5.072 6.843 6.004) 10.420 1.010 ( -1.241 -4.473 7.651) 8.949 1.120 ( -2.023 -3.798 6.165) 7.518 1.267 ( -1.436 0.491 3.504) 3.818 1.401 ( -1.961 0.014 -0.906) 2.161 1.433 ( -1.594 2.923 1.940) 3.853 1.575 ( -3.382 0.476 0.010) 3.415 1.640 ( -6.404 3.881 7.544) 10.629 1.719 ( -4.233 -0.333 2.546) 4.951 1.975 ( -1.059 0.737 4.880) 5.047 2.118 ( -1.427 -5.636 2.999) 6.542 2.412 ( -7.235 0.990 -0.920) 7.360 2.616 ( -5.894 1.409 -1.762) 6.311 2.775 ( 1.165 -3.940 -3.416) 5.343 3.077 ( 2.422 -9.641 4.145) 10.770 3.371 ( 1.212 2.402 -2.005) 3.355 4.428 ( 6.607 0.940 -18.484) 19.652 4.444 ( 0.596 0.313 6.890) 6.922 5.110 ( 8.944 5.167 -4.334) 11.202 5.630 ( -17.611 -5.287 6.173) 19.396 6.103 ( -9.562 -0.175 -0.231) 9.567 6.461 ( 4.491 3.535 -1.677) 5.957 6.601 ( 2.279 -0.221 -2.138) 3.133======================= Grid point 347 (119/215) =======================q-point: (-0.33 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 1.577 5.249 11.203) 12.472 0.754 ( -3.019 8.281 7.821) 11.784 1.008 ( -0.851 -4.145 8.636) 9.617 1.107 ( -1.502 -3.870 6.132) 7.405 1.235 ( -1.598 3.905 5.931) 7.278 1.336 ( -2.094 3.415 4.046) 5.693 1.398 ( -1.013 2.886 4.510) 5.449 1.491 ( -3.866 3.757 0.699) 5.436 1.527 ( -3.594 2.080 3.502) 5.432 1.653 ( -2.742 -0.889 5.855) 6.526 1.973 ( 0.480 -0.943 3.653) 3.803 2.132 ( -0.220 -7.578 2.741) 8.062 2.289 ( -4.720 1.148 -0.020) 4.857 2.492 ( -5.705 -0.349 -1.959) 6.042 2.835 ( 2.429 -2.157 -1.352) 3.518 3.189 ( 3.195 -11.916 3.882) 12.933 3.416 ( 4.025 -3.503 4.666) 7.088 4.485 ( 3.816 1.189 7.538) 8.532 4.541 ( 6.439 2.315 -13.494) 15.129 5.182 ( -5.794 2.119 2.690) 6.730 5.353 ( -6.885 -2.055 -0.573) 7.208 5.930 ( -7.835 -0.106 -3.338) 8.517 6.514 ( 2.865 5.598 -3.346) 7.123 6.640 ( 1.516 0.045 -2.622) 3.029======================= Grid point 348 (120/215) =======================q-point: (-0.25 0.25 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( -0.000 4.160 11.300) 12.041 0.680 ( -0.000 8.658 9.391) 12.773 1.015 ( 0.000 -2.423 8.349) 8.694 1.106 ( 0.000 -4.307 4.179) 6.001 1.166 ( -0.000 8.217 14.606) 16.759 1.341 ( -0.000 2.684 3.099) 4.099 1.360 ( -0.000 2.226 4.798) 5.290 1.434 ( -0.000 5.815 2.171) 6.207 1.473 ( 0.000 -0.229 -0.730) 0.765 1.634 ( 0.000 -0.998 8.160) 8.221 1.986 ( 0.000 -1.581 3.358) 3.711 2.167 ( 0.000 -7.745 2.360) 8.096 2.235 ( -0.000 1.296 0.436) 1.367 2.435 ( 0.000 -0.864 -1.613) 1.830 2.867 ( 0.000 -1.879 -1.948) 2.706 3.255 ( 0.000 -5.063 -1.009) 5.163 3.529 ( 0.000 -17.163 10.280) 20.006 4.519 ( -0.000 3.360 -1.491) 3.676 4.663 ( 0.000 -1.316 -1.553) 2.035 4.983 ( 0.000 -0.046 7.323) 7.323 5.345 ( -0.000 4.645 -3.952) 6.099 5.844 ( 0.000 -0.014 -5.459) 5.459 6.514 ( -0.000 6.980 -3.712) 7.906 6.654 ( -0.000 0.274 -2.859) 2.872======================= Grid point 355 (121/215) =======================q-point: (-0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( -5.176 -0.000 5.046) 7.228 1.041 ( -2.475 -0.000 0.452) 2.517 1.130 ( -2.810 -0.000 1.716) 3.293 1.192 ( -4.206 -0.000 4.468) 6.136 1.315 ( -0.782 -0.000 0.482) 0.919 1.429 ( -1.851 -0.000 2.664) 3.244 1.548 ( -2.278 -0.000 -2.291) 3.230 1.588 ( 0.692 0.000 -3.277) 3.349 1.723 ( 0.172 0.000 0.376) 0.413 1.985 ( -1.322 -0.000 -0.065) 1.323 2.087 ( -6.136 -0.000 4.738) 7.752 2.188 ( -3.024 -0.000 4.833) 5.701 2.705 ( -6.077 -0.000 -3.377) 6.952 2.799 ( -6.054 -0.000 -11.024) 12.577 2.806 ( 0.348 0.000 2.121) 2.149 3.006 ( -2.843 -0.000 -5.722) 6.389 3.432 ( -3.239 -0.000 -9.082) 9.643 4.119 ( 10.330 0.000 -26.134) 28.102 4.505 ( -2.737 -0.000 3.452) 4.405 4.806 ( 7.382 0.000 -2.097) 7.674 6.148 ( -10.083 -0.000 4.729) 11.136 6.317 ( 2.565 0.000 2.859) 3.841 6.398 ( -4.403 -0.000 4.702) 6.441 6.526 ( 0.740 0.000 -2.651) 2.752======================= Grid point 357 (122/215) =======================q-point: (-0.58 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( -2.620 1.478 6.314) 6.993 0.983 ( -3.836 -1.872 5.490) 6.954 1.060 ( -3.293 5.042 2.462) 6.506 1.116 ( -3.998 -4.454 5.588) 8.188 1.295 ( -1.252 0.043 1.666) 2.085 1.410 ( -0.358 -0.134 0.907) 0.984 1.504 ( -2.120 1.259 -0.517) 2.519 1.601 ( -0.231 -1.378 -2.716) 3.054 1.710 ( -1.455 -0.034 1.152) 1.856 1.875 ( -8.367 0.976 3.152) 8.994 2.023 ( -1.671 0.580 5.339) 5.625 2.122 ( -3.796 -1.158 4.711) 6.160 2.568 ( -7.687 0.455 -2.838) 8.207 2.715 ( -2.317 1.028 -5.012) 5.617 2.772 ( -4.502 -1.413 -2.509) 5.344 2.979 ( -0.197 -2.357 -0.124) 2.369 3.394 ( -0.769 0.997 -5.328) 5.475 4.291 ( 7.940 -0.132 -23.177) 24.500 4.460 ( -1.757 0.024 5.328) 5.610 4.970 ( 9.671 1.205 -3.796) 10.459 5.905 ( -14.999 -0.999 6.507) 16.380 6.274 ( -8.103 -0.008 2.305) 8.424 6.393 ( 4.851 0.505 0.134) 4.879 6.555 ( 2.080 -0.092 -1.920) 2.832======================= Grid point 358 (123/215) =======================q-point: (-0.50 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( -0.597 4.188 7.993) 9.043 0.903 ( -4.641 0.874 6.911) 8.370 0.994 ( -1.539 1.884 7.464) 7.851 1.082 ( -1.806 -4.731 5.763) 7.672 1.271 ( -0.898 0.384 2.989) 3.144 1.401 ( -1.124 -0.005 -1.148) 1.607 1.456 ( -1.918 2.068 2.039) 3.481 1.577 ( -2.312 -0.009 0.793) 2.445 1.666 ( -3.832 1.626 4.086) 5.833 1.720 ( -6.169 0.613 3.877) 7.313 1.986 ( -1.427 1.639 4.335) 4.849 2.070 ( -2.632 -4.730 3.962) 6.708 2.419 ( -7.242 0.674 -1.179) 7.368 2.629 ( -7.102 1.471 -2.898) 7.810 2.744 ( 2.266 -2.952 -0.592) 3.768 3.008 ( 1.239 -5.494 4.277) 7.072 3.388 ( 0.721 1.462 -2.381) 2.885 4.434 ( 7.133 0.340 -19.984) 21.221 4.446 ( 0.719 0.242 7.652) 7.690 5.148 ( 9.424 3.173 -4.376) 10.864 5.592 ( -18.330 -3.156 7.217) 19.951 6.102 ( -9.559 -0.103 -0.303) 9.565 6.485 ( 5.004 1.878 -2.179) 5.772 6.599 ( 2.314 -0.169 -1.960) 3.037======================= Grid point 359 (124/215) =======================q-point: (-0.42 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 0.965 4.793 10.177) 11.290 0.813 ( -3.284 4.660 7.948) 9.781 0.978 ( -0.415 -2.270 9.597) 9.871 1.074 ( -1.442 -3.712 6.105) 7.289 1.264 ( 0.707 2.544 3.462) 4.354 1.365 ( -0.962 2.996 2.607) 4.086 1.416 ( -1.601 1.306 3.480) 4.047 1.530 ( -2.563 4.449 1.488) 5.346 1.546 ( -4.847 2.545 5.703) 7.906 1.643 ( -2.946 -1.325 4.578) 5.603 1.968 ( -0.026 0.006 3.201) 3.201 2.065 ( -0.802 -7.295 3.397) 8.087 2.299 ( -4.644 0.943 -0.156) 4.741 2.489 ( -6.204 -0.304 -2.267) 6.612 2.822 ( 3.569 -0.702 1.989) 4.145 3.079 ( 2.365 -11.343 6.640) 13.354 3.408 ( 1.817 0.448 1.236) 2.243 4.495 ( 4.523 0.931 9.357) 10.435 4.555 ( 5.797 0.954 -16.420) 17.440 5.199 ( -12.622 1.550 5.886) 14.013 5.338 ( 0.752 -1.407 -2.073) 2.616 5.929 ( -7.777 -0.078 -3.359) 8.472 6.555 ( 3.226 3.628 -4.179) 6.406 6.639 ( 1.610 -0.109 -2.485) 2.963======================= Grid point 360 (125/215) =======================q-point: (-0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( -0.000 3.913 10.459) 11.167 0.748 ( -0.000 6.490 9.522) 11.523 0.989 ( 0.000 -3.135 9.724) 10.217 1.070 ( 0.000 -3.719 4.817) 6.086 1.244 ( -0.000 8.582 8.711) 12.228 1.362 ( -0.000 1.987 3.188) 3.756 1.383 ( -0.000 3.092 6.019) 6.766 1.471 ( 0.000 -0.257 -0.896) 0.932 1.486 ( -0.000 5.806 2.727) 6.414 1.623 ( 0.000 -1.353 7.438) 7.560 1.974 ( 0.000 -1.155 2.866) 3.090 2.095 ( 0.000 -8.288 2.941) 8.795 2.247 ( -0.000 1.226 0.281) 1.258 2.427 ( 0.000 -0.848 -1.592) 1.803 2.858 ( 0.000 -0.127 0.953) 0.961 3.167 ( 0.000 -13.409 5.072) 14.336 3.442 ( 0.000 -3.812 5.382) 6.596 4.547 ( -0.000 3.041 1.013) 3.205 4.648 ( 0.000 -1.943 -4.637) 5.028 4.983 ( 0.000 -0.040 7.328) 7.328 5.379 ( -0.000 2.892 -3.113) 4.249 5.844 ( 0.000 -0.013 -5.458) 5.458 6.567 ( -0.000 5.042 -4.876) 7.014 6.656 ( -0.000 0.097 -2.831) 2.833======================= Grid point 369 (126/215) =======================q-point: (-0.58 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( -0.361 -0.000 7.695) 7.704 0.900 ( -4.068 -0.000 7.798) 8.795 1.022 ( -3.394 -0.000 8.575) 9.223 1.046 ( -0.490 -0.000 3.986) 4.016 1.273 ( -0.706 -0.000 2.814) 2.901 1.401 ( -0.844 -0.000 -1.253) 1.511 1.466 ( -2.180 -0.000 2.161) 3.069 1.577 ( -1.778 -0.000 1.096) 2.088 1.672 ( -2.399 -0.000 2.084) 3.178 1.724 ( -7.229 -0.000 4.915) 8.742 1.997 ( -1.227 -0.000 3.855) 4.045 2.045 ( -3.500 -0.000 4.688) 5.850 2.422 ( -7.253 -0.000 -1.298) 7.368 2.637 ( -8.170 -0.000 -3.835) 9.026 2.729 ( 3.303 0.000 1.116) 3.486 2.983 ( 0.798 0.000 4.121) 4.198 3.395 ( 0.586 0.000 -2.451) 2.520 4.435 ( 7.278 0.000 -20.333) 21.596 4.448 ( 0.783 0.000 7.754) 7.793 5.163 ( 9.725 0.000 -4.480) 10.708 5.578 ( -18.711 -0.000 7.650) 20.215 6.101 ( -9.557 -0.000 -0.327) 9.563 6.493 ( 5.188 0.000 -2.356) 5.698 6.599 ( 2.313 0.000 -1.880) 2.981======================= Grid point 371 (127/215) =======================q-point: (-0.50 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.714 ( 0.356 2.281 9.279) 9.562 0.834 ( -2.650 0.613 8.592) 9.013 0.971 ( -1.532 0.375 10.384) 10.503 1.046 ( -0.727 -2.114 5.756) 6.175 1.279 ( 1.718 0.845 2.318) 3.006 1.385 ( 0.306 1.260 1.204) 1.769 1.423 ( -2.275 0.239 2.959) 3.740 1.550 ( -1.153 0.774 5.224) 5.406 1.582 ( -6.008 4.090 3.447) 8.044 1.627 ( -2.957 -2.162 3.955) 5.390 1.976 ( -0.448 1.850 3.013) 3.564 2.010 ( -1.185 -4.884 3.886) 6.352 2.305 ( -4.608 0.372 -0.249) 4.630 2.487 ( -6.539 -0.121 -2.489) 6.997 2.821 ( 4.948 0.187 5.100) 7.109 3.006 ( 0.738 -4.617 5.908) 7.534 3.413 ( 1.266 0.371 0.295) 1.352 4.501 ( 4.955 0.370 10.634) 11.737 4.560 ( 5.372 0.221 -18.242) 19.018 5.209 ( -17.707 0.580 8.033) 19.453 5.329 ( 6.210 -0.513 -3.383) 7.090 5.929 ( -7.744 -0.028 -3.372) 8.446 6.577 ( 3.428 1.295 -4.608) 5.887 6.638 ( 1.622 -0.113 -2.306) 2.822======================= Grid point 372 (128/215) =======================q-point: (-0.42 0.42 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( -0.000 2.482 9.800) 10.109 0.794 ( -0.000 3.835 9.392) 10.145 0.963 ( 0.000 -2.473 11.099) 11.371 1.043 ( 0.000 -2.291 5.328) 5.800 1.304 ( -0.000 4.416 2.339) 4.997 1.376 ( -0.000 1.075 3.349) 3.517 1.415 ( -0.000 3.813 8.462) 9.282 1.469 ( 0.000 -0.185 -1.083) 1.098 1.533 ( -0.000 4.656 3.765) 5.988 1.608 ( 0.000 -2.113 6.504) 6.839 1.968 ( -0.000 0.232 2.759) 2.768 2.027 ( 0.000 -6.667 3.273) 7.427 2.256 ( -0.000 0.766 0.166) 0.784 2.421 ( 0.000 -0.546 -1.574) 1.666 2.866 ( -0.000 1.968 4.272) 4.703 3.054 ( 0.000 -10.811 6.993) 12.875 3.429 ( 0.000 -0.198 2.331) 2.340 4.573 ( -0.000 2.699 5.015) 5.695 4.629 ( 0.000 -2.209 -8.982) 9.249 4.983 ( 0.000 -0.023 7.332) 7.332 5.397 ( -0.000 1.372 -2.512) 2.862 5.844 ( 0.000 -0.007 -5.457) 5.457 6.602 ( -0.000 2.729 -5.423) 6.071 6.655 ( 0.000 -0.140 -2.700) 2.703======================= Grid point 384 (129/215) =======================q-point: ( 0.50 -0.50 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( -0.000 0.000 9.540) 9.540 0.812 ( -0.000 0.000 9.103) 9.103 0.951 ( -0.000 0.000 11.829) 11.829 1.032 ( -0.000 0.000 5.536) 5.536 1.322 ( -0.000 0.000 0.077) 0.077 1.380 ( -0.000 0.000 3.434) 3.434 1.435 ( 0.000 -0.000 9.099) 9.099 1.468 ( -0.000 0.000 -1.173) 1.173 1.561 ( -0.000 0.000 4.161) 4.161 1.592 ( -0.000 0.000 6.294) 6.294 1.982 ( 0.000 -0.000 4.137) 4.137 1.983 ( -0.000 0.000 2.022) 2.022 2.259 ( -0.000 0.000 0.124) 0.124 2.418 ( -0.000 0.000 -1.567) 1.567 2.881 ( -0.000 0.000 6.635) 6.635 2.999 ( 0.000 -0.000 6.007) 6.007 3.429 ( -0.000 0.000 1.650) 1.650 4.589 ( -0.000 0.000 13.854) 13.854 4.616 ( 0.000 -0.000 -17.938) 17.938 4.982 ( -0.000 0.000 7.333) 7.333 5.403 ( -0.000 0.000 -2.300) 2.300 5.844 ( -0.000 0.000 -5.457) 5.457 6.614 ( -0.000 0.000 -5.685) 5.685 6.654 ( -0.000 0.000 -2.528) 2.528======================= Grid point 453 (130/215) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( 0.000 0.000 10.493) 10.493 0.818 ( 0.000 0.000 10.699) 10.699 1.110 ( 0.000 0.000 0.100) 0.100 1.208 ( 0.000 0.000 -1.465) 1.465 1.305 ( 0.000 0.000 4.710) 4.710 1.355 ( 0.000 0.000 4.012) 4.012 1.418 ( 0.000 0.000 2.820) 2.820 1.473 ( 0.000 0.000 0.113) 0.113 1.543 ( 0.000 0.000 16.131) 16.131 1.814 ( 0.000 0.000 6.947) 6.947 2.126 ( 0.000 0.000 6.307) 6.307 2.239 ( 0.000 0.000 1.770) 1.770 2.308 ( 0.000 0.000 1.088) 1.088 2.406 ( 0.000 0.000 -2.548) 2.548 2.834 ( 0.000 0.000 -1.172) 1.172 3.178 ( 0.000 0.000 -5.339) 5.339 3.997 ( 0.000 0.000 -2.915) 2.915 4.202 ( 0.000 0.000 -10.418) 10.418 4.855 ( 0.000 0.000 7.995) 7.995 5.142 ( 0.000 0.000 -3.165) 3.165 5.153 ( 0.000 0.000 9.278) 9.278 5.712 ( 0.000 0.000 -7.652) 7.652 6.413 ( 0.000 0.000 2.348) 2.348 6.585 ( 0.000 0.000 -3.317) 3.317======================= Grid point 454 (131/215) =======================q-point: ( 0.08 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.751 ( 2.553 -2.005 9.719) 10.247 0.787 ( -2.528 -0.793 11.125) 11.436 1.152 ( 3.600 -0.523 -0.163) 3.642 1.247 ( 3.671 1.075 -1.241) 4.022 1.273 ( -1.408 -0.369 5.405) 5.597 1.402 ( -1.146 -0.100 2.871) 3.093 1.421 ( 4.382 -0.844 3.252) 5.521 1.493 ( 1.832 0.434 0.794) 2.044 1.595 ( 4.940 -0.896 13.631) 14.526 1.814 ( 0.026 0.347 6.242) 6.252 2.121 ( -0.338 0.480 6.343) 6.370 2.284 ( 4.344 -0.034 1.629) 4.639 2.294 ( -1.085 1.057 0.930) 1.777 2.457 ( 4.938 0.137 -2.530) 5.550 2.806 ( -2.816 -0.132 -1.618) 3.250 3.164 ( -1.575 -0.751 -5.760) 6.018 3.829 ( -14.559 5.116 0.752) 15.450 4.168 ( -4.024 -1.005 -12.286) 12.967 4.664 ( -8.956 -0.467 8.775) 12.547 5.036 ( -9.047 -1.628 -4.446) 10.211 5.473 ( 21.371 0.571 5.247) 22.013 5.844 ( 11.454 0.028 -5.295) 12.619 6.404 ( -1.114 -0.960 2.310) 2.738 6.575 ( -1.054 -0.094 -3.252) 3.419======================= Grid point 455 (132/215) =======================q-point: ( 0.17 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.757 ( -0.646 -1.577 10.613) 10.749 0.835 ( 4.834 -3.122 7.609) 9.540 1.221 ( 1.706 -0.237 1.713) 2.430 1.264 ( 2.868 1.685 5.637) 6.545 1.336 ( 4.442 0.102 -3.123) 5.431 1.373 ( -1.429 -0.782 3.212) 3.602 1.492 ( 2.126 3.243 2.786) 4.774 1.543 ( 3.599 -1.922 1.416) 4.319 1.719 ( 6.574 -1.908 8.890) 11.220 1.810 ( -0.284 0.872 3.515) 3.632 2.119 ( 0.771 0.519 6.756) 6.820 2.256 ( -1.802 1.502 0.960) 2.535 2.398 ( 6.885 -0.160 1.277) 7.004 2.568 ( 5.833 0.088 -1.994) 6.165 2.739 ( -3.488 0.161 -3.424) 4.890 3.127 ( -2.764 -1.724 -6.912) 7.641 3.501 ( -15.077 5.067 3.314) 16.248 4.053 ( -8.012 0.560 -16.823) 18.642 4.568 ( -2.322 -0.513 6.230) 6.668 4.878 ( -7.848 -3.140 -4.267) 9.469 5.843 ( 17.471 1.944 3.987) 18.026 6.082 ( 12.489 0.186 -2.485) 12.735 6.381 ( -1.887 -1.571 2.266) 3.341 6.547 ( -1.784 -0.110 -3.079) 3.560======================= Grid point 456 (133/215) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.783 ( 2.487 -1.830 8.164) 8.729 0.950 ( 5.176 -3.140 4.589) 7.597 1.226 ( 0.256 1.585 4.300) 4.590 1.315 ( 0.028 1.586 1.723) 2.341 1.372 ( 3.415 -0.807 3.537) 4.982 1.418 ( 2.998 0.262 -1.014) 3.175 1.494 ( 1.074 4.949 2.554) 5.672 1.618 ( 2.748 -1.475 -0.033) 3.119 1.774 ( -2.027 1.922 0.925) 2.943 1.842 ( 3.534 -2.601 2.362) 4.983 2.152 ( 2.751 0.228 6.900) 7.432 2.227 ( -0.161 0.376 1.842) 1.887 2.534 ( 6.904 0.136 0.657) 6.937 2.624 ( -0.227 0.076 -2.804) 2.814 2.733 ( 3.672 0.614 -4.632) 5.943 3.077 ( -3.421 -2.623 -8.279) 9.334 3.247 ( -9.309 2.989 0.296) 9.782 3.867 ( -10.455 1.746 -21.221) 23.721 4.553 ( 0.206 -0.278 4.411) 4.425 4.770 ( -5.029 -3.171 -2.716) 6.536 6.122 ( 12.737 2.760 4.377) 13.748 6.300 ( 9.900 0.247 -0.767) 9.933 6.351 ( -1.639 -1.809 2.553) 3.532 6.511 ( -1.961 -0.094 -2.857) 3.467======================= Grid point 457 (134/215) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.859 ( 4.296 -1.689 5.029) 6.826 1.041 ( 2.734 -2.175 1.043) 3.646 1.226 ( 0.625 2.479 3.360) 4.222 1.285 ( -1.886 1.092 1.409) 2.595 1.425 ( 1.774 2.522 4.329) 5.315 1.471 ( 3.303 -0.082 1.564) 3.656 1.519 ( 2.872 2.139 0.115) 3.583 1.643 ( -0.427 2.726 -2.501) 3.724 1.716 ( -2.398 0.553 -0.707) 2.561 1.876 ( -1.183 -3.608 -2.694) 4.656 2.212 ( 3.373 0.280 5.865) 6.771 2.257 ( 2.627 -0.733 2.773) 3.889 2.621 ( 2.665 1.861 -6.299) 7.088 2.664 ( 5.010 -0.329 -1.382) 5.207 2.804 ( 2.997 0.234 -2.424) 3.862 3.019 ( -3.418 -1.308 -8.274) 9.047 3.117 ( -4.148 -1.502 -6.174) 7.588 3.652 ( -10.697 2.242 -22.566) 25.074 4.570 ( 1.228 -0.141 3.010) 3.254 4.705 ( -3.098 -1.916 -1.313) 3.873 6.275 ( 2.247 1.940 3.026) 4.239 6.365 ( 5.065 -1.084 3.945) 6.511 6.457 ( 5.273 0.574 -0.417) 5.320 6.480 ( -0.350 -0.265 -1.328) 1.398======================= Grid point 458 (135/215) =======================q-point: ( 0.42 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 4.202 -1.776 2.370) 5.141 1.071 ( 0.116 0.091 -1.159) 1.169 1.205 ( -1.942 1.889 0.918) 2.861 1.262 ( 0.185 0.596 2.597) 2.671 1.452 ( 2.008 2.076 2.780) 4.008 1.527 ( 2.516 0.292 1.705) 3.053 1.555 ( -0.002 0.060 -0.163) 0.174 1.593 ( -1.092 3.337 -2.617) 4.380 1.694 ( -0.334 0.297 -1.828) 1.881 1.852 ( -2.356 -3.328 -4.952) 6.415 2.270 ( 2.600 0.108 4.431) 5.139 2.303 ( 1.399 -0.422 2.957) 3.299 2.687 ( 4.960 2.055 -9.743) 11.124 2.745 ( 3.050 0.133 -1.904) 3.598 2.830 ( -0.391 0.016 -2.015) 2.052 2.974 ( -1.198 0.323 -7.879) 7.976 3.085 ( -1.219 -5.078 -14.069) 15.007 3.455 ( -8.182 2.625 -19.278) 21.106 4.597 ( 1.544 -0.084 1.775) 2.354 4.663 ( -2.070 -0.689 -0.257) 2.197 6.269 ( -0.730 0.192 2.385) 2.501 6.446 ( -0.346 -0.058 -1.442) 1.485 6.486 ( 4.753 0.548 2.852) 5.570 6.545 ( 2.303 0.043 2.432) 3.349======================= Grid point 459 (136/215) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 334Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( 0.000 -0.000 -0.149) 0.149 1.057 ( 0.000 0.000 0.469) 0.469 1.175 ( 0.000 -0.000 -0.413) 0.413 1.265 ( 0.000 -0.000 2.508) 2.508 1.469 ( 0.000 -0.000 1.705) 1.705 1.534 ( 0.000 -0.000 -2.796) 2.796 1.558 ( 0.000 -0.000 1.522) 1.522 1.586 ( 0.000 -0.000 0.641) 0.641 1.691 ( 0.000 -0.000 -2.437) 2.437 1.833 ( 0.000 -0.000 -5.494) 5.494 2.301 ( 0.000 -0.000 3.805) 3.805 2.312 ( 0.000 -0.000 2.939) 2.939 2.761 ( 0.000 0.000 -0.233) 0.233 2.768 ( -0.000 0.000 -14.368) 14.368 2.806 ( 0.000 -0.000 -1.203) 1.203 2.965 ( 0.000 -0.000 -6.979) 6.979 3.093 ( 0.000 -0.000 -20.581) 20.581 3.358 ( 0.000 -0.000 -14.244) 14.244 4.625 ( 0.000 -0.000 0.699) 0.699 4.632 ( 0.000 -0.000 0.710) 0.710 6.261 ( 0.000 -0.000 2.399) 2.399 6.440 ( 0.000 -0.000 -2.404) 2.404 6.548 ( 0.000 0.000 3.582) 3.582 6.553 ( -0.000 -0.000 2.945) 2.945======================= Grid point 467 (137/215) =======================q-point: ( 0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( -0.607 -0.000 10.626) 10.644 0.821 ( 5.064 0.000 7.863) 9.352 1.220 ( 2.095 0.000 1.458) 2.552 1.272 ( 2.860 0.000 5.681) 6.360 1.336 ( 4.045 0.000 -3.268) 5.200 1.370 ( -1.173 -0.000 3.252) 3.457 1.514 ( 4.729 0.000 1.914) 5.102 1.527 ( 1.314 0.000 2.469) 2.797 1.710 ( 6.700 0.000 9.230) 11.405 1.814 ( -0.264 -0.000 3.600) 3.610 2.122 ( 0.656 0.000 6.700) 6.732 2.263 ( -2.060 -0.000 0.808) 2.213 2.397 ( 6.935 0.000 1.337) 7.063 2.568 ( 5.759 0.000 -1.875) 6.057 2.740 ( -3.321 -0.000 -3.943) 5.155 3.119 ( -2.886 -0.000 -7.070) 7.636 3.524 ( -15.911 -0.000 2.993) 16.190 4.055 ( -7.680 -0.000 -16.309) 18.027 4.566 ( -2.200 -0.000 6.064) 6.451 4.863 ( -7.757 -0.000 -4.134) 8.790 5.852 ( 17.541 0.000 3.689) 17.925 6.083 ( 12.511 0.000 -2.461) 12.751 6.373 ( -1.830 -0.000 2.578) 3.161 6.547 ( -1.769 -0.000 -3.122) 3.588======================= Grid point 468 (138/215) =======================q-point: ( 0.17 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 2.694 -0.602 8.036) 8.497 0.930 ( 5.597 -1.128 4.846) 7.489 1.235 ( 0.528 0.493 3.866) 3.933 1.325 ( -1.387 0.640 1.300) 2.006 1.367 ( 5.206 -0.383 3.892) 6.511 1.420 ( 2.904 0.096 -1.070) 3.096 1.534 ( 0.747 3.454 3.515) 4.984 1.599 ( 3.237 -2.228 0.179) 3.934 1.791 ( -1.680 1.517 0.440) 2.306 1.821 ( 3.347 -1.705 2.855) 4.718 2.154 ( 2.707 0.096 6.888) 7.402 2.230 ( -0.715 0.136 1.563) 1.725 2.535 ( 7.086 0.052 0.802) 7.131 2.625 ( 0.053 0.083 -2.970) 2.971 2.737 ( 3.534 0.301 -5.143) 6.248 3.057 ( -3.705 -1.312 -8.963) 9.787 3.268 ( -10.188 1.369 0.418) 10.288 3.878 ( -10.391 0.614 -20.693) 23.164 4.552 ( 0.296 -0.076 4.201) 4.212 4.750 ( -4.502 -1.213 -2.366) 5.229 6.140 ( 12.872 1.143 4.038) 13.539 6.301 ( 9.454 0.025 -0.826) 9.490 6.339 ( -1.312 -0.736 3.036) 3.388 6.510 ( -1.955 -0.034 -2.994) 3.576======================= Grid point 469 (139/215) =======================q-point: ( 0.25 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 4.472 -0.839 4.770) 6.592 1.025 ( 3.418 -1.249 1.103) 3.802 1.242 ( 0.639 1.270 3.244) 3.542 1.293 ( -1.896 0.556 1.528) 2.498 1.446 ( 2.401 2.098 3.673) 4.864 1.469 ( 3.260 -0.539 1.892) 3.808 1.538 ( 1.006 1.868 1.792) 2.777 1.652 ( 1.497 -0.272 -1.712) 2.291 1.732 ( -3.018 2.604 -1.881) 4.408 1.844 ( -1.674 -3.223 -2.800) 4.586 2.214 ( 3.358 0.207 5.930) 6.818 2.252 ( 2.555 -0.467 2.523) 3.621 2.637 ( 2.882 1.515 -6.503) 7.272 2.661 ( 5.232 -0.387 -0.969) 5.335 2.808 ( 3.278 0.664 -3.321) 4.713 2.993 ( -3.940 -3.336 -11.079) 12.223 3.120 ( -4.972 1.094 -3.878) 6.400 3.667 ( -10.738 1.167 -22.036) 24.541 4.569 ( 1.263 -0.067 2.885) 3.150 4.691 ( -2.453 -1.142 -0.966) 2.873 6.291 ( -0.072 1.448 2.698) 3.063 6.355 ( 7.279 -0.960 4.230) 8.474 6.461 ( 5.778 0.437 0.568) 5.822 6.477 ( -0.896 -0.258 -2.323) 2.503======================= Grid point 470 (140/215) =======================q-point: ( 0.33 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( 4.207 -1.118 2.175) 4.866 1.070 ( 1.004 -0.277 -1.731) 2.020 1.224 ( -2.521 2.200 1.790) 3.795 1.264 ( -0.142 -0.098 2.592) 2.598 1.472 ( 1.451 2.494 2.505) 3.821 1.528 ( 2.723 -0.098 1.547) 3.133 1.547 ( -0.419 -1.411 2.065) 2.536 1.627 ( -2.458 3.959 -3.308) 5.715 1.697 ( -0.233 0.191 -2.335) 2.354 1.822 ( -1.367 -3.256 -5.166) 6.258 2.272 ( 2.527 0.130 4.525) 5.184 2.300 ( 1.640 -0.342 2.724) 3.198 2.705 ( 4.654 1.885 -7.720) 9.210 2.746 ( 3.296 -0.086 -1.787) 3.751 2.837 ( -0.490 1.752 -5.473) 5.767 2.954 ( -1.304 -4.604 -11.818) 12.750 3.062 ( -0.890 -0.411 -9.359) 9.411 3.473 ( -8.487 1.511 -19.165) 21.015 4.597 ( 1.571 -0.062 1.717) 2.328 4.657 ( -1.666 -0.512 -0.043) 1.743 6.270 ( -0.897 0.139 2.453) 2.616 6.446 ( -0.332 -0.024 -1.265) 1.308 6.490 ( 4.731 0.384 2.517) 5.372 6.545 ( 2.200 0.030 2.484) 3.319======================= Grid point 471 (141/215) =======================q-point: ( 0.42 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 1.934 -0.960 0.013) 2.159 1.064 ( -1.358 1.198 0.092) 1.813 1.177 ( -0.681 0.288 -0.170) 0.759 1.263 ( -0.341 -0.359 2.497) 2.546 1.470 ( -1.189 0.022 1.743) 2.109 1.531 ( -0.843 -0.644 -1.473) 1.816 1.560 ( -0.475 0.661 0.409) 0.911 1.589 ( 0.040 0.625 0.227) 0.666 1.685 ( -0.869 -1.213 -2.362) 2.793 1.835 ( 1.956 0.411 -5.429) 5.786 2.302 ( 0.046 0.177 3.750) 3.755 2.311 ( 0.078 -0.142 2.997) 3.001 2.763 ( -0.875 0.469 -1.243) 1.590 2.768 ( -2.013 0.017 -13.488) 13.637 2.804 ( 1.445 -0.491 -0.988) 1.819 2.959 ( -0.466 -1.144 -7.649) 7.748 3.100 ( 4.343 1.498 -20.017) 20.537 3.356 ( -2.353 -0.376 -14.222) 14.420 4.626 ( -0.216 0.079 0.721) 0.756 4.631 ( 0.504 -0.082 0.689) 0.857 6.261 ( -0.051 -0.000 2.399) 2.400 6.440 ( 0.024 0.003 -2.409) 2.409 6.547 ( -1.465 -0.141 3.592) 3.881 6.553 ( 1.148 0.138 2.941) 3.160======================= Grid point 472 (142/215) =======================q-point: (-0.50 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( -4.086 2.261 2.598) 5.344 1.067 ( 0.734 -0.976 -0.219) 1.241 1.192 ( 1.341 -0.823 -0.354) 1.612 1.254 ( -0.636 -1.081 2.571) 2.861 1.436 ( -2.399 -1.586 2.937) 4.110 1.524 ( -2.396 -0.283 1.779) 2.998 1.544 ( 0.667 -2.161 -3.453) 4.128 1.573 ( -1.828 -1.547 -0.755) 2.511 1.693 ( 1.169 -0.031 -1.188) 1.667 1.879 ( 2.887 2.687 -4.848) 6.250 2.270 ( -2.691 -0.018 4.366) 5.129 2.307 ( -1.124 0.362 3.220) 3.430 2.670 ( -5.139 -1.694 -10.970) 12.232 2.745 ( -2.751 0.161 -1.492) 3.134 2.833 ( 0.457 0.497 -0.168) 0.696 2.958 ( 0.248 -2.582 -6.150) 6.675 3.142 ( 2.028 7.336 -16.072) 17.783 3.426 ( 7.876 -3.799 -19.558) 21.424 4.598 ( -1.515 0.084 1.843) 2.387 4.669 ( 2.531 0.679 -0.500) 2.668 6.267 ( 0.533 -0.194 2.307) 2.376 6.447 ( 0.421 0.101 -1.762) 1.814 6.481 ( -4.838 -0.591 3.348) 5.913 6.544 ( -2.418 -0.045 2.378) 3.392======================= Grid point 473 (143/215) =======================q-point: (-0.42 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -3.994 2.480 5.409) 7.166 1.062 ( -1.506 2.298 1.086) 2.954 1.200 ( -1.034 -3.064 3.421) 4.708 1.274 ( 1.773 -1.563 1.229) 2.664 1.404 ( -1.609 -2.232 4.454) 5.235 1.471 ( -3.211 -0.135 1.400) 3.505 1.502 ( -3.754 -1.622 -1.032) 4.217 1.609 ( 1.639 -4.567 -3.431) 5.943 1.718 ( 1.682 0.672 0.247) 1.828 1.906 ( 0.837 3.128 -2.771) 4.262 2.210 ( -3.401 -0.242 5.894) 6.809 2.264 ( -2.717 0.780 3.043) 4.153 2.605 ( -2.329 -1.608 -6.044) 6.674 2.668 ( -4.742 0.568 -1.406) 4.979 2.804 ( -3.162 0.184 -2.134) 3.819 3.007 ( 3.362 -3.293 -3.822) 6.063 3.153 ( 2.844 5.895 -9.316) 11.386 3.628 ( 10.749 -3.071 -23.537) 26.057 4.571 ( -1.154 0.189 3.167) 3.376 4.724 ( 3.924 2.135 -1.759) 4.801 6.258 ( -3.961 -1.868 3.272) 5.466 6.374 ( -3.509 0.863 3.757) 5.213 6.452 ( -5.153 -0.549 -1.083) 5.294 6.482 ( 0.180 0.195 -0.644) 0.696======================= Grid point 474 (144/215) =======================q-point: (-0.33 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.805 ( -2.090 3.009 8.345) 9.113 0.984 ( -4.483 4.543 4.186) 7.633 1.206 ( 0.169 -2.864 5.098) 5.850 1.298 ( -1.064 -2.197 2.115) 3.230 1.379 ( -1.450 0.504 3.888) 4.181 1.416 ( -3.231 -0.377 -0.987) 3.399 1.454 ( -1.289 -3.731 0.879) 4.044 1.621 ( -1.933 -0.843 -1.006) 2.336 1.759 ( 2.072 -1.536 1.321) 2.898 1.866 ( -3.816 2.795 1.950) 5.116 2.150 ( -2.796 -0.229 6.903) 7.451 2.223 ( -0.791 -0.517 2.359) 2.541 2.533 ( -6.538 -0.174 0.366) 6.550 2.625 ( 0.566 0.384 -2.244) 2.346 2.727 ( -3.932 -0.648 -4.096) 5.715 3.091 ( 3.718 -0.222 -5.266) 6.450 3.228 ( 7.162 -0.591 -1.579) 7.358 3.848 ( 10.574 -2.572 -22.217) 24.739 4.557 ( -0.018 0.484 4.740) 4.764 4.803 ( 5.862 4.073 -3.271) 7.852 6.094 ( -12.797 -3.266 4.866) 14.075 6.296 ( -10.080 -0.450 -0.800) 10.122 6.369 ( 1.887 2.036 1.966) 3.401 6.512 ( 1.976 0.132 -2.626) 3.289======================= Grid point 475 (145/215) =======================q-point: (-0.25 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( 0.773 3.110 10.529) 11.005 0.873 ( -4.311 5.327 6.971) 9.776 1.222 ( -0.225 -0.230 3.168) 3.184 1.245 ( -3.515 -2.507 4.939) 6.560 1.334 ( -4.745 -0.305 -2.475) 5.361 1.383 ( 1.623 1.370 2.941) 3.628 1.463 ( -0.622 -3.145 2.683) 4.181 1.557 ( -4.109 1.255 0.680) 4.349 1.741 ( -6.257 3.034 8.025) 10.619 1.799 ( 0.254 -1.693 3.266) 3.687 2.113 ( -1.089 -0.782 6.887) 7.017 2.237 ( 1.071 -2.667 1.434) 3.212 2.400 ( -6.756 0.311 1.103) 6.852 2.567 ( -6.054 -0.206 -2.329) 6.489 2.739 ( 3.966 0.219 -1.996) 4.445 3.145 ( 2.552 1.944 -6.169) 6.953 3.442 ( 12.944 -7.537 3.796) 15.452 4.044 ( 8.707 -1.351 -18.126) 20.154 4.575 ( 2.624 0.989 6.640) 7.208 4.915 ( 8.093 5.105 -4.627) 10.629 5.820 ( -17.331 -3.190 4.738) 18.247 6.080 ( -12.426 -0.342 -2.556) 12.690 6.399 ( 2.068 2.470 1.506) 3.556 6.549 ( 1.827 0.194 -2.961) 3.485======================= Grid point 476 (146/215) =======================q-point: (-0.17 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.784 ( -2.168 5.341 9.040) 10.721 0.801 ( 2.225 2.214 10.935) 11.376 1.159 ( -3.240 1.071 0.486) 3.447 1.231 ( -2.924 -2.313 0.975) 3.854 1.278 ( 0.889 0.749 3.389) 3.583 1.405 ( -0.017 0.397 3.021) 3.047 1.434 ( -2.251 1.897 2.691) 3.989 1.487 ( -1.981 -0.619 1.464) 2.539 1.609 ( -5.367 2.276 12.237) 13.555 1.807 ( 0.037 -1.055 6.128) 6.219 2.113 ( 0.221 -1.288 6.404) 6.537 2.272 ( 0.717 -3.208 1.195) 3.498 2.288 ( -4.171 0.321 1.538) 4.457 2.454 ( -4.980 -0.402 -2.584) 5.625 2.809 ( 2.956 0.677 -0.728) 3.119 3.175 ( 1.466 1.701 -5.499) 5.940 3.749 ( 12.653 -11.879 2.662) 17.558 4.179 ( 5.033 1.123 -13.907) 14.832 4.672 ( 8.852 1.211 8.967) 12.658 5.063 ( 8.878 4.222 -4.462) 10.796 5.463 ( -20.625 -1.568 5.527) 21.410 5.844 ( -11.396 -0.083 -5.314) 12.574 6.420 ( 1.208 2.499 1.564) 3.186 6.576 ( 1.084 0.258 -3.203) 3.391======================= Grid point 477 (147/215) =======================q-point: (-0.08 0.08 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( -0.000 4.177 10.078) 10.909 0.823 ( -0.000 1.162 10.560) 10.623 1.117 ( -0.000 1.522 0.431) 1.582 1.202 ( 0.000 -1.394 -1.006) 1.719 1.305 ( -0.000 0.068 4.550) 4.550 1.361 ( -0.000 1.351 3.663) 3.904 1.424 ( -0.000 1.421 2.674) 3.028 1.473 ( 0.000 -0.060 0.146) 0.158 1.546 ( -0.000 0.706 15.870) 15.886 1.812 ( 0.000 -0.629 6.908) 6.937 2.122 ( 0.000 -1.030 6.313) 6.396 2.241 ( -0.000 0.342 1.708) 1.742 2.297 ( 0.000 -2.552 1.219) 2.828 2.404 ( 0.000 -0.317 -2.530) 2.550 2.836 ( -0.000 0.485 -0.736) 0.881 3.183 ( -0.000 1.239 -5.237) 5.382 3.939 ( 0.000 -11.648 -1.054) 11.696 4.219 ( -0.000 2.822 -11.678) 12.014 4.852 ( 0.000 -0.617 8.382) 8.405 5.153 ( 0.000 -0.017 9.279) 9.279 5.161 ( -0.000 4.023 -3.580) 5.385 5.712 ( 0.000 -0.007 -7.652) 7.652 6.422 ( -0.000 1.929 1.912) 2.716 6.586 ( -0.000 0.219 -3.300) 3.307======================= Grid point 480 (148/215) =======================q-point: ( 0.17 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.844 ( 4.528 0.000 4.676) 6.509 1.020 ( 3.644 0.000 1.138) 3.817 1.248 ( 0.681 0.000 3.198) 3.269 1.295 ( -1.886 -0.000 1.571) 2.455 1.460 ( 3.996 0.000 4.269) 5.848 1.462 ( 2.021 0.000 1.055) 2.279 1.547 ( -0.230 -0.000 2.864) 2.874 1.649 ( 2.367 0.000 -1.972) 3.080 1.747 ( -2.848 -0.000 -1.963) 3.459 1.827 ( -2.021 -0.000 -2.990) 3.609 2.215 ( 3.354 0.000 5.991) 6.866 2.249 ( 2.527 0.000 2.403) 3.487 2.645 ( 2.686 0.000 -7.433) 7.903 2.659 ( 5.585 0.000 0.183) 5.588 2.812 ( 3.617 0.000 -3.894) 5.314 2.976 ( -4.451 -0.000 -11.384) 12.223 3.126 ( -5.182 -0.000 -3.640) 6.333 3.673 ( -10.765 -0.000 -21.868) 24.374 4.568 ( 1.270 0.000 2.837) 3.108 4.686 ( -2.206 -0.000 -0.834) 2.358 6.298 ( -1.700 -0.000 2.462) 2.992 6.350 ( 8.870 0.000 4.450) 9.924 6.463 ( 6.375 0.000 1.343) 6.515 6.476 ( -1.509 -0.000 -3.101) 3.448======================= Grid point 481 (149/215) =======================q-point: ( 0.25 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.931 ( 4.186 -0.380 2.061) 4.682 1.068 ( 1.485 -0.149 -1.948) 2.454 1.241 ( -3.100 1.387 2.245) 4.071 1.260 ( 0.015 -0.573 2.519) 2.583 1.495 ( 0.979 2.557 1.871) 3.316 1.519 ( 1.730 -1.940 2.013) 3.288 1.538 ( 0.286 -0.364 2.871) 2.908 1.657 ( -2.216 2.309 -3.249) 4.560 1.696 ( -1.776 -0.329 -2.518) 3.099 1.799 ( 0.053 -1.572 -5.460) 5.682 2.272 ( 2.483 0.058 4.598) 5.226 2.298 ( 1.785 -0.132 2.581) 3.141 2.718 ( 4.515 0.969 -6.398) 7.890 2.744 ( 3.170 -0.361 -0.783) 3.285 2.863 ( -0.723 4.059 -9.723) 10.561 2.906 ( -0.521 -5.493 -12.009) 13.216 3.064 ( -1.137 0.353 -7.541) 7.634 3.482 ( -8.671 0.489 -19.129) 21.008 4.596 ( 1.587 -0.023 1.683) 2.314 4.654 ( -1.430 -0.189 0.082) 1.445 6.271 ( -0.992 0.050 2.493) 2.684 6.446 ( -0.335 -0.005 -1.188) 1.234 6.493 ( 4.730 0.138 2.346) 5.282 6.545 ( 2.140 0.011 2.517) 3.304======================= Grid point 482 (150/215) =======================q-point: ( 0.33 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 2.508 -0.695 0.158) 2.607 1.074 ( -1.302 0.906 -0.519) 1.669 1.180 ( -1.477 0.391 0.371) 1.572 1.259 ( -0.532 -0.433 2.457) 2.551 1.470 ( -2.249 0.028 1.826) 2.897 1.524 ( -0.636 -0.680 -0.066) 0.933 1.569 ( -0.154 1.073 -0.121) 1.091 1.594 ( -1.820 0.430 -1.230) 2.238 1.673 ( -0.649 -1.366 -2.027) 2.529 1.839 ( 3.149 0.378 -5.320) 6.194 2.304 ( 0.130 0.295 3.607) 3.621 2.309 ( 0.085 -0.259 3.146) 3.158 2.766 ( -5.599 0.070 -12.829) 13.997 2.770 ( 0.502 0.670 -2.298) 2.446 2.798 ( 2.428 -0.755 -0.417) 2.577 2.949 ( -0.059 -0.959 -8.608) 8.662 3.114 ( 7.156 1.347 -19.276) 20.605 3.352 ( -4.283 -0.399 -14.173) 14.812 4.627 ( -0.676 0.118 0.795) 1.050 4.630 ( 1.174 -0.121 0.615) 1.331 6.261 ( -0.088 -0.000 2.399) 2.401 6.440 ( 0.042 0.003 -2.418) 2.418 6.546 ( -1.925 -0.103 3.635) 4.115 6.554 ( 1.377 0.100 2.907) 3.218======================= Grid point 483 (151/215) =======================q-point: (-0.58 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( -3.775 2.461 2.852) 5.334 1.054 ( 0.843 -1.772 0.589) 2.049 1.190 ( 1.392 0.110 -1.556) 2.091 1.244 ( -1.188 -1.148 2.589) 3.071 1.424 ( -2.581 -1.019 2.995) 4.083 1.520 ( -1.064 -0.990 0.136) 1.460 1.528 ( -1.381 -0.782 -2.703) 3.134 1.560 ( -2.880 -1.297 -0.806) 3.260 1.693 ( 1.822 0.121 -0.749) 1.974 1.898 ( 3.163 1.718 -4.810) 6.008 2.270 ( -2.785 0.052 4.346) 5.162 2.309 ( -0.874 0.221 3.447) 3.563 2.658 ( -5.179 -1.058 -11.442) 12.604 2.748 ( -2.575 0.422 -1.283) 2.908 2.837 ( 0.835 0.313 0.998) 1.339 2.935 ( -0.777 -2.276 -6.002) 6.465 3.208 ( 2.360 7.429 -16.012) 17.808 3.388 ( 7.843 -4.895 -20.280) 22.288 4.599 ( -1.491 0.061 1.902) 2.417 4.674 ( 2.926 0.490 -0.707) 3.049 6.266 ( 0.360 -0.144 2.241) 2.274 6.448 ( 0.597 0.121 -2.245) 2.326 6.476 ( -5.023 -0.478 3.979) 6.426 6.544 ( -2.516 -0.034 2.335) 3.433======================= Grid point 484 (152/215) =======================q-point: (-0.50 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.902 ( -3.611 2.978 5.906) 7.536 1.076 ( 0.421 0.607 1.452) 1.629 1.178 ( -2.340 -1.634 3.142) 4.245 1.258 ( 1.529 -1.881 0.981) 2.615 1.387 ( -1.695 -1.538 4.247) 4.825 1.469 ( -3.091 -0.181 1.301) 3.358 1.492 ( -3.558 -0.703 -1.753) 4.028 1.568 ( 1.629 -4.499 -3.789) 6.103 1.724 ( 1.435 0.563 0.506) 1.622 1.930 ( 0.634 2.262 -2.947) 3.769 2.208 ( -3.441 -0.154 5.997) 6.915 2.270 ( -2.790 0.643 3.303) 4.371 2.594 ( -2.050 -1.073 -5.593) 6.053 2.675 ( -4.381 0.893 -1.381) 4.679 2.805 ( -3.638 0.142 -2.528) 4.432 2.973 ( 3.079 -3.899 -1.681) 5.245 3.208 ( 1.855 6.167 -9.234) 11.258 3.600 ( 11.034 -3.335 -25.041) 27.566 4.573 ( -1.062 0.178 3.315) 3.485 4.741 ( 4.701 1.793 -2.179) 5.483 6.243 ( -5.129 -1.450 3.450) 6.349 6.380 ( -2.513 0.566 3.636) 4.457 6.447 ( -5.185 -0.424 -1.505) 5.415 6.483 ( 0.170 0.120 -0.198) 0.287======================= Grid point 485 (153/215) =======================q-point: (-0.42 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -1.596 3.843 8.522) 9.484 1.028 ( -3.706 5.148 3.719) 7.353 1.175 ( 0.607 -3.968 5.987) 7.208 1.277 ( -1.452 -2.725 2.663) 4.077 1.376 ( -0.195 -1.320 4.967) 5.144 1.412 ( -3.410 -0.350 -1.300) 3.666 1.436 ( -1.316 -0.022 -1.415) 1.933 1.604 ( -0.532 -2.923 -2.033) 3.600 1.748 ( 1.249 -0.929 1.753) 2.345 1.889 ( -3.841 2.449 1.384) 4.761 2.149 ( -2.783 -0.126 6.849) 7.394 2.219 ( -1.899 -0.515 3.042) 3.623 2.531 ( -6.035 -0.157 0.012) 6.037 2.632 ( 0.787 1.239 -1.367) 2.006 2.721 ( -4.187 -0.848 -3.791) 5.712 3.068 ( 4.395 -4.352 -0.860) 6.245 3.242 ( 4.426 3.334 -4.421) 7.089 3.823 ( 10.758 -2.849 -23.566) 26.061 4.562 ( 0.222 0.552 5.079) 5.114 4.839 ( 6.739 3.855 -3.856) 8.669 6.067 ( -13.051 -2.932 5.353) 14.407 6.292 ( -10.123 -0.482 -0.935) 10.178 6.385 ( 2.160 1.679 1.491) 3.116 6.513 ( 1.999 0.137 -2.370) 3.103======================= Grid point 486 (154/215) =======================q-point: (-0.33 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 0.864 4.176 10.330) 11.176 0.926 ( -3.738 6.287 6.163) 9.565 1.207 ( 0.552 -3.105 7.458) 8.097 1.230 ( -3.360 -0.859 2.081) 4.044 1.332 ( -4.296 -0.228 -1.445) 4.538 1.393 ( 1.289 0.411 3.022) 3.311 1.442 ( 0.535 -1.162 0.996) 1.622 1.565 ( -3.575 0.617 0.080) 3.629 1.768 ( -4.032 2.119 6.789) 8.175 1.783 ( -1.728 -1.210 3.087) 3.739 2.107 ( -1.521 -0.662 6.989) 7.183 2.211 ( -0.020 -3.255 2.257) 3.961 2.404 ( -6.586 0.435 0.848) 6.655 2.564 ( -6.399 -0.331 -2.826) 7.003 2.744 ( 4.744 1.132 0.052) 4.878 3.152 ( 2.773 -0.890 -3.855) 4.831 3.380 ( 9.849 -5.603 2.988) 11.719 4.029 ( 9.369 -1.970 -19.773) 21.969 4.585 ( 2.977 1.211 7.125) 7.816 4.963 ( 8.428 5.527 -5.121) 11.305 5.790 ( -17.233 -3.506 5.666) 18.476 6.076 ( -12.339 -0.414 -2.662) 12.629 6.422 ( 2.348 2.533 0.633) 3.511 6.551 ( 1.884 0.230 -2.795) 3.378======================= Grid point 487 (155/215) =======================q-point: (-0.25 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 1.946 3.164 10.558) 11.192 0.841 ( -1.934 7.049 8.030) 10.859 1.167 ( -2.571 0.468 2.129) 3.371 1.208 ( -2.559 -2.654 2.133) 4.259 1.288 ( 0.829 1.361 2.202) 2.718 1.408 ( -0.314 0.285 3.172) 3.200 1.450 ( 0.355 1.450 1.912) 2.426 1.488 ( -2.885 1.143 1.546) 3.467 1.633 ( -5.880 3.063 10.602) 12.504 1.795 ( 0.164 -1.795 5.888) 6.158 2.099 ( -0.024 -1.674 6.509) 6.721 2.236 ( 0.498 -4.861 1.815) 5.212 2.293 ( -4.346 0.627 1.329) 4.588 2.450 ( -5.042 -0.624 -2.664) 5.736 2.820 ( 3.230 1.824 0.809) 3.797 3.189 ( 1.359 1.074 -4.693) 5.002 3.634 ( 10.393 -13.363 4.736) 17.579 4.184 ( 5.848 -0.093 -16.006) 17.041 4.684 ( 8.629 1.522 9.297) 12.775 5.106 ( 8.507 5.404 -4.522) 11.046 5.446 ( -19.436 -2.225 6.023) 20.470 5.843 ( -11.287 -0.126 -5.344) 12.489 6.446 ( 1.382 3.151 0.412) 3.465 6.579 ( 1.135 0.353 -3.111) 3.330======================= Grid point 488 (156/215) =======================q-point: (-0.17 0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.791 ( -0.000 6.822 9.111) 11.382 0.838 ( -0.000 2.073 10.167) 10.377 1.134 ( -0.000 1.972 1.495) 2.475 1.186 ( 0.000 -2.181 -0.016) 2.181 1.307 ( -0.000 0.480 4.004) 4.032 1.377 ( -0.000 2.086 2.984) 3.641 1.443 ( -0.000 2.922 2.240) 3.682 1.472 ( 0.000 -0.164 0.240) 0.290 1.556 ( -0.000 1.569 15.048) 15.129 1.803 ( 0.000 -1.281 6.778) 6.898 2.109 ( 0.000 -1.792 6.333) 6.582 2.245 ( -0.000 0.631 1.534) 1.659 2.264 ( 0.000 -4.698 1.639) 4.976 2.400 ( 0.000 -0.587 -2.479) 2.547 2.844 ( -0.000 1.456 0.438) 1.520 3.197 ( -0.000 1.513 -4.827) 5.058 3.814 ( 0.000 -15.732 2.363) 15.909 4.239 ( -0.000 1.440 -13.889) 13.963 4.847 ( 0.000 -0.441 9.242) 9.253 5.153 ( 0.000 -0.030 9.283) 9.283 5.206 ( -0.000 5.599 -4.338) 7.083 5.712 ( 0.000 -0.012 -7.653) 7.653 6.445 ( -0.000 3.150 0.809) 3.252 6.589 ( -0.000 0.378 -3.249) 3.271======================= Grid point 493 (157/215) =======================q-point: ( 0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.996 ( 2.612 0.000 0.197) 2.620 1.078 ( -1.096 -0.000 -0.806) 1.360 1.182 ( -1.895 -0.000 0.669) 2.010 1.257 ( -0.566 -0.000 2.423) 2.488 1.470 ( -2.727 -0.000 1.873) 3.308 1.521 ( -0.349 -0.000 0.297) 0.458 1.575 ( 0.859 0.000 0.521) 1.004 1.596 ( -3.974 -0.000 -2.695) 4.801 1.666 ( -0.033 -0.000 -1.686) 1.686 1.841 ( 3.517 0.000 -5.273) 6.338 2.307 ( 1.045 0.000 3.695) 3.840 2.307 ( -0.797 -0.000 3.061) 3.163 2.766 ( -6.391 -0.000 -14.461) 15.810 2.775 ( 0.217 0.000 -1.105) 1.126 2.794 ( 2.989 0.000 0.110) 2.991 2.944 ( 0.276 0.000 -8.975) 8.979 3.121 ( 8.156 0.000 -19.023) 20.697 3.350 ( -5.080 -0.000 -14.146) 15.030 4.627 ( -1.409 -0.000 0.902) 1.673 4.630 ( 1.984 0.000 0.509) 2.048 6.261 ( -0.101 -0.000 2.399) 2.402 6.440 ( 0.048 0.000 -2.423) 2.423 6.546 ( -2.034 -0.000 3.659) 4.186 6.555 ( 1.401 0.000 2.888) 3.210======================= Grid point 494 (158/215) =======================q-point: (-0.67 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.011 ( -3.704 2.034 3.543) 5.514 1.037 ( 0.730 -1.816 0.440) 2.006 1.192 ( 1.997 0.219 -2.303) 3.057 1.236 ( -1.781 -0.545 2.722) 3.298 1.418 ( -2.631 -0.355 2.994) 4.002 1.511 ( -0.483 -0.583 -2.508) 2.620 1.527 ( -3.038 0.109 -0.117) 3.042 1.551 ( -2.767 -0.670 -1.173) 3.079 1.694 ( 2.096 0.065 -0.575) 2.174 1.909 ( 3.283 0.589 -4.801) 5.846 2.271 ( -2.850 0.034 4.349) 5.200 2.311 ( -0.721 0.070 3.578) 3.650 2.652 ( -5.169 -0.354 -11.572) 12.679 2.751 ( -2.507 0.246 -1.296) 2.833 2.838 ( 1.284 0.046 1.791) 2.204 2.921 ( -1.552 -0.861 -6.217) 6.465 3.270 ( 0.786 5.841 -13.339) 14.583 3.342 ( 9.548 -4.943 -23.170) 25.543 4.599 ( -1.478 0.022 1.936) 2.436 4.677 ( 3.151 0.178 -0.825) 3.262 6.265 ( 0.259 -0.053 2.203) 2.218 6.449 ( 0.808 0.060 -2.719) 2.838 6.473 ( -5.239 -0.191 4.539) 6.934 6.544 ( -2.572 -0.013 2.312) 3.459======================= Grid point 495 (159/215) =======================q-point: (-0.58 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -3.300 2.532 6.561) 7.768 1.070 ( 1.751 -1.594 1.866) 3.014 1.175 ( -3.364 0.863 2.740) 4.424 1.242 ( 1.295 -1.742 0.588) 2.249 1.377 ( -1.788 -0.767 4.026) 4.471 1.468 ( -3.020 -0.123 1.199) 3.252 1.491 ( -2.674 0.518 -2.256) 3.537 1.532 ( 0.983 -3.478 -3.829) 5.265 1.728 ( 1.324 0.269 0.543) 1.456 1.945 ( 0.529 1.179 -3.116) 3.374 2.207 ( -3.478 -0.068 6.104) 7.026 2.275 ( -2.829 0.363 3.504) 4.519 2.587 ( -1.879 -0.512 -5.209) 5.561 2.683 ( -3.995 0.807 -1.347) 4.293 2.806 ( -4.231 -0.092 -3.274) 5.350 2.944 ( 2.897 -2.426 -0.317) 3.792 3.255 ( 0.946 4.036 -7.846) 8.874 3.573 ( 11.583 -2.436 -26.921) 29.408 4.574 ( -0.986 0.107 3.418) 3.559 4.754 ( 5.245 1.015 -2.474) 5.887 6.233 ( -5.823 -0.791 3.563) 6.873 6.384 ( -1.958 0.274 3.564) 4.076 6.444 ( -5.239 -0.231 -1.739) 5.524 6.484 ( 0.198 0.056 0.057) 0.214======================= Grid point 496 (160/215) =======================q-point: (-0.50 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( -1.167 3.765 8.700) 9.551 1.072 ( -3.084 4.695 3.153) 6.441 1.139 ( 1.133 -3.994 6.598) 7.796 1.251 ( -1.609 -2.998 3.536) 4.907 1.361 ( -0.458 -1.555 4.221) 4.521 1.410 ( -3.231 -0.223 -1.268) 3.478 1.449 ( -0.537 2.416 -2.153) 3.280 1.572 ( 0.667 -3.944 -2.742) 4.850 1.742 ( 0.340 -0.445 2.027) 2.103 1.908 ( -3.756 1.630 0.837) 4.179 2.148 ( -2.683 -0.015 6.712) 7.228 2.215 ( -2.899 -0.378 3.741) 4.748 2.530 ( -5.551 -0.097 -0.262) 5.558 2.647 ( 1.052 2.032 -0.520) 2.347 2.711 ( -4.452 -1.356 -3.672) 5.928 3.028 ( 3.994 -4.254 1.190) 5.955 3.274 ( 2.938 3.445 -4.854) 6.638 3.800 ( 11.002 -2.326 -25.017) 27.428 4.566 ( 0.440 0.429 5.350) 5.386 4.868 ( 7.449 2.717 -4.332) 9.035 6.044 ( -13.341 -2.013 5.743) 14.663 6.288 ( -10.135 -0.359 -1.084) 10.199 6.398 ( 2.412 1.063 1.170) 2.884 6.514 ( 2.024 0.104 -2.155) 2.958======================= Grid point 497 (161/215) =======================q-point: (-0.42 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.849 ( 0.786 4.360 10.023) 10.959 0.980 ( -3.362 5.689 5.349) 8.501 1.178 ( 0.188 -2.999 8.418) 8.938 1.220 ( -2.031 -1.596 3.144) 4.069 1.331 ( -3.176 0.141 -0.211) 3.186 1.385 ( 0.585 -1.958 2.052) 2.896 1.448 ( 1.112 2.253 -0.428) 2.549 1.567 ( -2.171 -0.114 -0.651) 2.269 1.756 ( 0.488 -2.442 3.483) 4.282 1.799 ( -6.206 2.673 5.106) 8.469 2.103 ( -1.915 -0.206 6.922) 7.185 2.182 ( -1.284 -3.146 3.389) 4.799 2.408 ( -6.415 0.466 0.577) 6.458 2.561 ( -6.800 -0.381 -3.389) 7.607 2.759 ( 5.849 2.080 2.354) 6.639 3.124 ( 3.402 -5.137 0.069) 6.162 3.352 ( 6.344 -0.996 0.359) 6.432 4.011 ( 9.881 -1.972 -21.392) 23.646 4.595 ( 3.274 1.063 7.553) 8.300 5.009 ( 8.780 4.581 -5.642) 11.398 5.761 ( -17.234 -2.961 6.546) 18.671 6.073 ( -12.253 -0.367 -2.775) 12.568 6.442 ( 2.645 1.967 -0.105) 3.298 6.553 ( 1.938 0.206 -2.620) 3.265======================= Grid point 498 (162/215) =======================q-point: (-0.33 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 1.323 3.449 10.044) 10.702 0.903 ( -1.694 6.789 7.048) 9.932 1.165 ( -1.469 -0.983 4.979) 5.284 1.187 ( -2.642 -1.951 1.981) 3.835 1.302 ( 0.821 1.799 1.770) 2.654 1.408 ( 0.669 -0.433 3.016) 3.120 1.458 ( 0.423 0.543 1.386) 1.547 1.510 ( -2.103 3.616 0.697) 4.241 1.662 ( -6.180 3.326 9.031) 11.437 1.776 ( 0.319 -2.502 5.558) 6.104 2.085 ( -0.381 -1.456 6.613) 6.782 2.189 ( -0.140 -5.520 2.817) 6.199 2.299 ( -4.283 0.727 1.065) 4.473 2.444 ( -5.097 -0.730 -2.737) 5.831 2.843 ( 3.666 3.454 2.631) 5.683 3.187 ( 1.505 -2.042 -2.647) 3.666 3.527 ( 8.031 -10.229 5.277) 14.035 4.179 ( 6.393 -0.915 -17.979) 19.104 4.698 ( 8.347 1.396 9.678) 12.856 5.154 ( 8.074 5.264 -4.738) 10.741 5.425 ( -18.271 -2.481 6.717) 19.624 5.842 ( -11.154 -0.137 -5.376) 12.383 6.473 ( 1.591 2.885 -0.736) 3.376 6.582 ( 1.191 0.351 -2.989) 3.236======================= Grid point 499 (163/215) =======================q-point: (-0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( -0.000 7.306 8.119) 10.922 0.858 ( -0.000 2.528 9.599) 9.926 1.149 ( -0.000 1.245 3.204) 3.438 1.165 ( 0.000 -2.382 1.035) 2.597 1.314 ( -0.000 0.974 3.166) 3.313 1.396 ( -0.000 2.264 2.394) 3.295 1.470 ( 0.000 -0.343 0.375) 0.508 1.476 ( -0.000 4.434 1.538) 4.693 1.574 ( -0.000 2.544 13.598) 13.833 1.789 ( 0.000 -1.973 6.534) 6.825 2.091 ( 0.000 -2.036 6.378) 6.695 2.216 ( 0.000 -6.055 2.401) 6.513 2.252 ( -0.000 0.805 1.286) 1.517 2.394 ( 0.000 -0.750 -2.400) 2.514 2.863 ( -0.000 3.048 2.020) 3.656 3.205 ( 0.000 -0.026 -3.749) 3.749 3.675 ( 0.000 -14.908 5.086) 15.751 4.244 ( -0.000 0.014 -16.043) 16.043 4.845 ( 0.000 -0.041 10.159) 10.160 5.153 ( 0.000 -0.034 9.288) 9.288 5.254 ( -0.000 5.134 -4.840) 7.056 5.712 ( 0.000 -0.014 -7.653) 7.653 6.475 ( -0.000 3.361 -0.516) 3.400 6.592 ( -0.000 0.433 -3.166) 3.196======================= Grid point 506 (164/215) =======================q-point: (-0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( -3.221 -0.000 7.036) 7.738 1.060 ( 1.927 0.000 1.757) 2.608 1.182 ( -3.541 -0.000 2.878) 4.563 1.232 ( 1.317 0.000 0.194) 1.331 1.373 ( -1.820 -0.000 3.941) 4.341 1.468 ( -3.008 -0.000 1.149) 3.220 1.497 ( -2.242 -0.000 -2.266) 3.188 1.512 ( 0.677 0.000 -3.994) 4.051 1.729 ( 1.289 0.000 0.541) 1.398 1.951 ( 0.496 0.000 -3.185) 3.223 2.207 ( -3.494 -0.000 6.148) 7.072 2.277 ( -2.841 -0.000 3.582) 4.571 2.584 ( -1.823 -0.000 -5.065) 5.383 2.687 ( -3.806 -0.000 -1.322) 4.029 2.805 ( -4.532 -0.000 -3.681) 5.839 2.933 ( 2.858 0.000 0.242) 2.869 3.274 ( 0.470 0.000 -6.927) 6.943 3.561 ( 11.946 0.000 -27.971) 30.415 4.575 ( -0.957 -0.000 3.455) 3.585 4.759 ( 5.440 0.000 -2.579) 6.020 6.229 ( -6.055 -0.000 3.603) 7.046 6.385 ( -1.779 -0.000 3.539) 3.961 6.443 ( -5.262 -0.000 -1.814) 5.565 6.484 ( 0.213 0.000 0.141) 0.255======================= Grid point 508 (165/215) =======================q-point: (-0.58 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( -0.951 1.783 8.864) 9.091 1.103 ( -4.186 1.212 3.556) 5.625 1.113 ( 3.159 -0.793 5.700) 6.564 1.228 ( -1.913 -1.719 4.514) 5.195 1.352 ( -0.713 -0.551 3.556) 3.669 1.408 ( -3.198 -0.082 -1.181) 3.410 1.472 ( 0.092 2.241 -2.392) 3.279 1.540 ( 1.250 -2.784 -3.129) 4.371 1.740 ( -0.138 -0.128 2.138) 2.146 1.917 ( -3.687 0.565 0.513) 3.765 2.148 ( -2.569 0.014 6.571) 7.056 2.212 ( -3.511 -0.140 4.209) 5.483 2.529 ( -5.261 -0.030 -0.392) 5.276 2.665 ( 2.382 1.764 0.522) 3.010 2.698 ( -5.698 -1.433 -4.152) 7.194 3.000 ( 3.439 -1.681 1.879) 4.264 3.297 ( 2.268 1.383 -4.469) 5.199 3.785 ( 11.206 -0.918 -26.046) 28.370 4.569 ( 0.566 0.161 5.500) 5.531 4.885 ( 7.844 0.976 -4.599) 9.145 6.032 ( -13.527 -0.716 5.962) 14.800 6.286 ( -10.140 -0.132 -1.174) 10.208 6.404 ( 2.560 0.360 1.009) 2.775 6.515 ( 2.041 0.039 -2.035) 2.882======================= Grid point 509 (166/215) =======================q-point: (-0.50 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( 0.575 3.125 9.656) 10.166 1.020 ( -3.312 2.996 4.925) 6.649 1.162 ( 0.582 -0.391 8.533) 8.562 1.200 ( -1.400 -2.683 4.847) 5.715 1.334 ( -1.724 0.494 1.468) 2.318 1.367 ( -0.235 -1.738 -0.549) 1.838 1.471 ( 0.592 2.472 -0.529) 2.596 1.563 ( -0.092 -0.717 -1.631) 1.784 1.737 ( -0.151 -1.684 3.461) 3.852 1.819 ( -5.839 1.563 4.337) 7.440 2.103 ( -2.066 0.278 6.575) 6.897 2.158 ( -2.462 -2.202 4.627) 5.685 2.411 ( -6.284 0.317 0.376) 6.303 2.558 ( -7.129 -0.268 -3.852) 8.108 2.778 ( 7.177 2.045 4.408) 8.667 3.076 ( 2.955 -4.807 2.271) 6.082 3.353 ( 4.297 0.643 -1.176) 4.501 3.997 ( 10.225 -1.239 -22.620) 24.855 4.603 ( 3.463 0.611 7.841) 8.594 5.041 ( 9.067 2.592 -6.060) 11.210 5.739 ( -17.301 -1.703 7.196) 18.815 6.070 ( -12.191 -0.214 -2.860) 12.524 6.456 ( 2.866 1.053 -0.583) 3.108 6.554 ( 1.975 0.123 -2.485) 3.176======================= Grid point 510 (167/215) =======================q-point: (-0.42 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( 0.677 2.912 9.420) 9.884 0.955 ( -1.707 4.592 6.426) 8.080 1.154 ( -0.850 -1.073 6.350) 6.496 1.173 ( -2.368 -1.386 2.822) 3.936 1.317 ( 0.564 1.565 2.144) 2.714 1.401 ( 2.371 -0.927 1.995) 3.234 1.463 ( -0.838 0.506 1.353) 1.670 1.545 ( -0.482 4.042 -0.461) 4.097 1.690 ( -6.126 2.818 7.570) 10.138 1.752 ( 0.380 -2.806 5.309) 6.017 2.075 ( -0.758 -0.569 6.606) 6.674 2.142 ( -0.874 -4.952 4.125) 6.504 2.305 ( -4.217 0.611 0.829) 4.340 2.438 ( -5.133 -0.619 -2.787) 5.874 2.881 ( 4.376 4.904 4.348) 7.880 3.150 ( 1.848 -6.063 0.777) 6.386 3.461 ( 5.684 -4.577 3.635) 8.153 4.170 ( 6.764 -0.955 -19.533) 20.694 4.708 ( 8.101 0.955 10.010) 12.913 5.196 ( 7.946 4.038 -5.302) 10.371 5.404 ( -17.640 -2.196 7.674) 19.362 5.841 ( -11.034 -0.105 -5.404) 12.287 6.495 ( 1.775 1.964 -1.611) 3.099 6.585 ( 1.235 0.253 -2.859) 3.124======================= Grid point 511 (168/215) =======================q-point: (-0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.880 ( -0.000 2.365 8.974) 9.280 0.915 ( -0.000 5.865 7.413) 9.452 1.145 ( 0.000 -2.095 1.959) 2.868 1.156 ( -0.000 0.367 4.968) 4.982 1.323 ( -0.000 0.982 2.498) 2.684 1.416 ( -0.000 2.106 1.996) 2.901 1.465 ( 0.000 -0.610 0.517) 0.799 1.519 ( -0.000 5.224 0.705) 5.271 1.600 ( -0.000 3.190 11.607) 12.037 1.768 ( 0.000 -2.614 6.224) 6.751 2.075 ( 0.000 -1.542 6.435) 6.617 2.161 ( 0.000 -6.222 3.516) 7.147 2.259 ( -0.000 0.783 1.023) 1.288 2.388 ( 0.000 -0.732 -2.309) 2.422 2.899 ( -0.000 5.002 3.591) 6.158 3.189 ( 0.000 -3.814 -1.343) 4.043 3.562 ( 0.000 -10.067 5.687) 11.563 4.241 ( 0.000 -0.588 -17.875) 17.885 4.846 ( -0.000 0.163 10.920) 10.921 5.152 ( 0.000 -0.030 9.292) 9.292 5.294 ( -0.000 3.699 -5.003) 6.222 5.712 ( 0.000 -0.012 -7.653) 7.653 6.502 ( -0.000 2.698 -1.669) 3.172 6.596 ( -0.000 0.366 -3.058) 3.080======================= Grid point 520 (169/215) =======================q-point: (-0.58 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.899 ( 0.446 0.000 9.451) 9.462 1.032 ( -3.275 -0.000 5.126) 6.083 1.168 ( 1.633 0.000 7.696) 7.867 1.180 ( -2.018 -0.000 6.150) 6.472 1.337 ( -0.662 -0.000 3.330) 3.395 1.358 ( -1.092 -0.000 -2.850) 3.052 1.484 ( -0.066 -0.000 -0.335) 0.341 1.559 ( 1.289 0.000 -2.288) 2.626 1.729 ( -0.544 -0.000 3.569) 3.610 1.826 ( -5.674 -0.000 3.998) 6.941 2.105 ( -1.973 -0.000 6.233) 6.538 2.147 ( -3.073 -0.000 5.323) 6.146 2.413 ( -6.233 -0.000 0.303) 6.241 2.557 ( -7.258 -0.000 -4.034) 8.304 2.789 ( 7.934 0.000 5.337) 9.562 3.052 ( 2.367 0.000 2.676) 3.572 3.357 ( 3.719 0.000 -1.486) 4.005 3.991 ( 10.351 0.000 -23.088) 25.302 4.606 ( 3.526 0.000 7.943) 8.691 5.053 ( 9.182 0.000 -6.225) 11.093 5.732 ( -17.343 -0.000 7.440) 18.871 6.069 ( -12.169 -0.000 -2.892) 12.508 6.460 ( 2.947 0.000 -0.747) 3.040 6.555 ( 1.988 0.000 -2.433) 3.142======================= Grid point 522 (170/215) =======================q-point: (-0.50 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.903 ( 0.171 1.223 8.908) 8.993 0.982 ( -1.662 1.446 6.325) 6.697 1.151 ( -1.506 0.345 5.369) 5.587 1.161 ( -1.252 -1.206 4.999) 5.293 1.328 ( 0.074 0.669 2.930) 3.007 1.394 ( 3.742 -0.517 0.699) 3.842 1.466 ( -1.517 0.217 1.474) 2.126 1.574 ( 0.552 2.020 -1.453) 2.549 1.709 ( -5.854 1.274 6.694) 8.983 1.730 ( 0.230 -1.625 5.276) 5.526 2.076 ( -0.896 0.547 6.281) 6.368 2.106 ( -1.523 -2.694 5.435) 6.254 2.309 ( -4.177 0.245 0.690) 4.241 2.434 ( -5.149 -0.249 -2.813) 5.872 2.922 ( 5.509 3.524 5.575) 8.594 3.096 ( 1.387 -4.506 3.008) 5.593 3.439 ( 4.327 -0.994 2.117) 4.918 4.164 ( 6.963 -0.393 -20.407) 21.566 4.714 ( 7.962 0.337 10.202) 12.945 5.222 ( 8.295 1.612 -6.096) 10.420 5.389 ( -17.740 -0.973 8.687) 19.777 5.840 ( -10.963 -0.039 -5.419) 12.230 6.507 ( 1.882 0.691 -2.080) 2.889 6.587 ( 1.256 0.091 -2.769) 3.042======================= Grid point 523 (171/215) =======================q-point: (-0.42 0.42 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.898 ( -0.000 1.478 8.456) 8.584 0.955 ( -0.000 3.188 7.010) 7.701 1.130 ( 0.000 -1.280 2.629) 2.924 1.157 ( -0.000 0.001 6.234) 6.234 1.330 ( -0.000 0.556 2.197) 2.266 1.433 ( -0.000 1.739 1.836) 2.529 1.459 ( 0.000 -0.928 0.562) 1.085 1.562 ( -0.000 4.027 -0.008) 4.027 1.627 ( -0.000 2.665 9.561) 9.926 1.745 ( 0.000 -2.553 6.076) 6.590 2.067 ( 0.000 -0.157 6.371) 6.373 2.111 ( 0.000 -4.810 4.825) 6.813 2.265 ( -0.000 0.501 0.819) 0.960 2.382 ( 0.000 -0.470 -2.232) 2.281 2.950 ( -0.000 6.237 4.685) 7.800 3.139 ( 0.000 -6.878 1.929) 7.143 3.500 ( 0.000 -4.053 4.370) 5.960 4.236 ( 0.000 -0.487 -19.136) 19.142 4.847 ( -0.000 0.144 11.416) 11.417 5.152 ( 0.000 -0.017 9.296) 9.296 5.319 ( -0.000 1.904 -4.999) 5.349 5.711 ( 0.000 -0.007 -7.654) 7.654 6.521 ( -0.000 1.479 -2.432) 2.846 6.599 ( -0.000 0.203 -2.950) 2.957======================= Grid point 535 (172/215) =======================q-point: ( 0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -0.000 0.000 8.248) 8.248 0.969 ( -0.000 0.000 6.870) 6.870 1.124 ( -0.000 0.000 2.883) 2.883 1.157 ( -0.000 0.000 6.703) 6.703 1.333 ( -0.000 0.000 2.124) 2.124 1.444 ( -0.000 0.000 2.575) 2.575 1.451 ( 0.000 -0.000 -0.208) 0.208 1.582 ( -0.000 0.000 -0.310) 0.310 1.641 ( -0.000 0.000 8.516) 8.516 1.731 ( -0.000 0.000 6.182) 6.182 2.071 ( 0.000 -0.000 5.997) 5.997 2.083 ( -0.000 0.000 5.787) 5.787 2.267 ( -0.000 0.000 0.741) 0.741 2.380 ( -0.000 0.000 -2.201) 2.201 2.989 ( -0.000 0.000 4.990) 4.990 3.096 ( 0.000 -0.000 3.475) 3.475 3.484 ( -0.000 0.000 3.588) 3.588 4.234 ( -0.000 0.000 -19.590) 19.590 4.848 ( -0.000 0.000 11.588) 11.588 5.152 ( -0.000 0.000 9.297) 9.297 5.327 ( -0.000 0.000 -4.979) 4.979 5.711 ( -0.000 0.000 -7.654) 7.654 6.527 ( -0.000 0.000 -2.700) 2.700 6.599 ( -0.000 0.000 -2.900) 2.900======================= Grid point 604 (173/215) =======================q-point: ( 0.00 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( 0.000 0.000 8.255) 8.255 1.007 ( 0.000 0.000 8.048) 8.048 1.050 ( 0.000 0.000 -5.341) 5.341 1.140 ( 0.000 0.000 -5.138) 5.138 1.392 ( 0.000 0.000 3.633) 3.633 1.427 ( 0.000 0.000 2.929) 2.929 1.438 ( 0.000 0.000 -0.731) 0.731 1.467 ( 0.000 0.000 -1.034) 1.034 1.810 ( 0.000 0.000 9.101) 9.101 1.895 ( 0.000 0.000 0.401) 0.401 2.246 ( 0.000 0.000 4.986) 4.986 2.286 ( 0.000 0.000 2.839) 2.839 2.310 ( 0.000 0.000 -1.337) 1.337 2.348 ( 0.000 0.000 -3.114) 3.114 2.881 ( 0.000 0.000 5.763) 5.763 3.035 ( 0.000 0.000 -8.362) 8.362 3.965 ( 0.000 0.000 0.278) 0.278 4.027 ( 0.000 0.000 -6.149) 6.149 4.990 ( 0.000 0.000 5.413) 5.413 5.078 ( 0.000 0.000 -3.532) 3.532 5.348 ( 0.000 0.000 9.841) 9.841 5.541 ( 0.000 0.000 -9.200) 9.200 6.462 ( 0.000 0.000 2.597) 2.597 6.519 ( 0.000 0.000 -3.105) 3.105======================= Grid point 605 (174/215) =======================q-point: ( 0.08 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 0.723 -1.394 6.672) 6.855 0.961 ( -2.581 -0.855 4.662) 5.397 1.123 ( 5.155 -0.547 -0.892) 5.260 1.179 ( 3.733 0.014 -4.513) 5.857 1.378 ( -0.939 0.203 4.051) 4.163 1.426 ( -1.117 -0.112 -0.605) 1.275 1.469 ( 3.568 -0.287 2.012) 4.106 1.497 ( 2.791 -0.080 -0.585) 2.853 1.825 ( 1.436 0.076 7.744) 7.877 1.892 ( -0.437 0.369 0.843) 1.019 2.232 ( -0.755 0.462 4.304) 4.394 2.290 ( -1.305 0.800 -1.489) 2.136 2.336 ( 4.552 0.012 3.256) 5.597 2.401 ( 4.863 0.179 -3.002) 5.718 2.850 ( -3.352 -0.963 5.936) 6.885 3.012 ( -2.599 -1.083 -8.835) 9.273 3.853 ( -10.473 2.895 2.485) 11.147 3.955 ( -7.228 1.058 -8.045) 10.867 4.823 ( -10.196 -0.791 6.919) 12.348 4.943 ( -9.960 -1.270 -5.110) 11.266 5.594 ( 18.137 0.269 6.511) 19.272 5.726 ( 14.826 0.094 -6.369) 16.136 6.453 ( -0.993 -0.366 2.595) 2.802 6.510 ( -0.974 -0.168 -3.077) 3.232======================= Grid point 606 (175/215) =======================q-point: ( 0.17 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( -0.884 -1.697 5.789) 6.097 0.955 ( 1.913 -2.294 3.405) 4.529 1.228 ( 5.109 -0.390 0.095) 5.125 1.263 ( 4.428 -0.085 -3.403) 5.585 1.365 ( 0.278 0.951 3.696) 3.826 1.404 ( -0.804 -0.104 -0.185) 0.832 1.537 ( 2.986 1.436 1.829) 3.785 1.559 ( 3.352 -0.186 -0.134) 3.359 1.852 ( 0.962 -0.185 3.624) 3.754 1.866 ( -2.221 0.784 1.683) 2.895 2.227 ( 0.705 0.332 3.596) 3.679 2.265 ( -0.622 0.740 -0.431) 1.058 2.446 ( 6.598 0.219 3.270) 7.368 2.515 ( 6.691 0.450 -3.242) 7.448 2.766 ( -5.844 -1.848 6.210) 8.725 2.949 ( -4.709 -2.448 -10.264) 11.556 3.584 ( -14.513 3.904 5.676) 16.065 3.755 ( -12.043 2.570 -11.816) 17.066 4.688 ( -4.618 -1.313 5.575) 7.358 4.791 ( -6.394 -2.262 -4.624) 8.208 5.931 ( 16.509 0.986 4.456) 17.128 6.016 ( 14.731 0.440 -3.902) 15.245 6.429 ( -1.660 -0.667 2.586) 3.144 6.486 ( -1.655 -0.313 -2.990) 3.432======================= Grid point 607 (176/215) =======================q-point: ( 0.25 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.939 ( 0.556 -2.149 6.336) 6.713 1.005 ( 1.915 -2.543 0.115) 3.185 1.290 ( 0.989 0.431 1.872) 2.160 1.316 ( 0.724 0.479 -1.115) 1.413 1.408 ( 4.448 1.053 1.148) 4.713 1.420 ( 3.036 0.169 0.130) 3.044 1.556 ( 0.465 4.593 3.181) 5.607 1.607 ( 1.403 1.647 -1.519) 2.643 1.800 ( -4.118 0.010 2.227) 4.682 1.848 ( -1.892 -1.526 -1.652) 2.939 2.256 ( 2.205 0.118 3.077) 3.787 2.271 ( 1.400 -0.170 1.562) 2.105 2.571 ( 6.233 0.661 2.954) 6.929 2.624 ( 1.739 -0.297 0.766) 1.923 2.673 ( -1.152 -1.371 1.511) 2.344 2.861 ( -5.799 -4.172 -12.336) 14.255 3.310 ( -11.721 3.363 6.093) 13.631 3.506 ( -11.931 3.174 -13.832) 18.540 4.638 ( -1.546 -1.044 3.962) 4.379 4.711 ( -3.263 -2.032 -3.245) 5.030 6.203 ( 12.354 1.799 3.651) 13.008 6.266 ( 11.238 0.808 -2.467) 11.534 6.401 ( -1.299 -1.026 2.480) 2.982 6.454 ( -1.672 -0.586 -2.759) 3.279======================= Grid point 608 (177/215) =======================q-point: ( 0.33 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 1.232 -2.122 5.033) 5.599 1.039 ( 0.301 -2.217 -1.760) 2.846 1.288 ( -0.383 1.891 2.362) 3.050 1.307 ( -0.619 1.301 0.392) 1.494 1.478 ( 2.703 1.016 1.590) 3.297 1.502 ( 4.136 0.760 -0.179) 4.209 1.531 ( 0.409 5.072 2.097) 5.503 1.586 ( -1.714 5.183 -2.988) 6.223 1.729 ( -3.570 -2.326 2.416) 4.898 1.803 ( -3.640 -3.354 -4.231) 6.512 2.297 ( 1.976 -0.130 2.662) 3.318 2.310 ( 2.093 -0.541 1.789) 2.806 2.567 ( -2.833 -1.207 3.124) 4.386 2.682 ( 4.459 0.192 1.722) 4.784 2.735 ( 0.828 -0.273 -6.225) 6.285 2.783 ( -2.051 -4.123 -10.520) 11.484 3.118 ( -7.046 2.100 5.088) 8.941 3.294 ( -8.353 2.836 -12.734) 15.491 4.627 ( -0.218 -0.528 2.601) 2.663 4.673 ( -1.659 -1.087 -1.951) 2.782 6.334 ( 0.745 1.340 3.025) 3.391 6.397 ( 1.289 0.740 -3.024) 3.369 6.437 ( 5.507 -0.477 2.464) 6.052 6.474 ( 5.678 -0.551 -0.944) 5.782======================= Grid point 609 (178/215) =======================q-point: ( 0.42 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 1.029 -1.612 2.236) 2.942 1.040 ( -0.684 -1.092 -1.855) 2.259 1.255 ( -1.507 2.681 3.424) 4.602 1.298 ( 0.084 1.105 0.148) 1.118 1.478 ( -0.289 2.201 0.171) 2.227 1.496 ( -2.574 3.054 -2.524) 4.725 1.564 ( 2.959 1.274 1.465) 3.539 1.587 ( 2.769 1.584 -0.284) 3.203 1.680 ( -2.506 -1.718 1.421) 3.355 1.751 ( -2.972 -2.977 -4.769) 6.359 2.333 ( 1.572 -0.284 1.633) 2.285 2.345 ( 1.154 -0.593 0.938) 1.601 2.542 ( -0.043 0.189 -1.033) 1.051 2.666 ( -4.904 -3.545 -12.433) 13.827 2.756 ( 2.419 0.298 2.022) 3.167 2.823 ( 2.145 -0.150 -4.587) 5.066 3.017 ( -3.023 0.871 4.525) 5.511 3.168 ( -3.829 1.650 -10.224) 11.041 4.630 ( 0.308 -0.183 1.393) 1.439 4.652 ( -0.896 -0.310 -0.808) 1.245 6.322 ( -0.698 0.229 2.948) 3.038 6.386 ( -0.732 0.148 -3.316) 3.399 6.547 ( 4.471 0.185 2.215) 4.993 6.570 ( 3.365 0.086 0.020) 3.366======================= Grid point 610 (179/215) =======================q-point: (-0.50 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 334Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 0.000 -0.000 0.355) 0.355 1.033 ( 0.000 0.000 -1.637) 1.637 1.231 ( 0.000 0.000 4.441) 4.441 1.296 ( 0.000 -0.000 -0.606) 0.606 1.460 ( 0.000 0.000 -1.858) 1.858 1.470 ( 0.000 -0.000 -1.274) 1.274 1.599 ( 0.000 -0.000 0.856) 0.856 1.608 ( 0.000 0.000 1.379) 1.379 1.656 ( 0.000 -0.000 0.337) 0.337 1.726 ( 0.000 -0.000 -4.977) 4.977 2.354 ( 0.000 -0.000 1.082) 1.082 2.354 ( 0.000 -0.000 0.949) 0.949 2.552 ( 0.000 0.000 -4.767) 4.767 2.612 ( -0.000 -0.000 -10.482) 10.482 2.779 ( 0.000 0.000 1.822) 1.822 2.845 ( 0.000 -0.000 -4.725) 4.725 2.987 ( 0.000 0.000 4.622) 4.622 3.129 ( 0.000 -0.000 -9.040) 9.040 4.637 ( 0.000 -0.000 0.425) 0.425 4.641 ( 0.000 -0.000 0.129) 0.129 6.315 ( 0.000 -0.000 2.967) 2.967 6.378 ( 0.000 -0.000 -3.288) 3.288 6.596 ( 0.000 0.000 1.175) 1.175 6.596 ( -0.000 -0.000 1.120) 1.120======================= Grid point 618 (180/215) =======================q-point: ( 0.08 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( -0.880 -0.000 5.687) 5.755 0.944 ( 2.072 0.000 3.553) 4.113 1.227 ( 5.228 0.000 0.172) 5.231 1.263 ( 4.430 0.000 -3.435) 5.605 1.370 ( 0.386 0.000 3.466) 3.488 1.404 ( -0.767 -0.000 0.051) 0.769 1.544 ( 3.814 0.000 1.321) 4.037 1.558 ( 3.148 0.000 0.309) 3.164 1.852 ( 0.822 0.000 3.956) 4.041 1.870 ( -2.259 -0.000 1.559) 2.744 2.228 ( 0.585 0.000 3.609) 3.657 2.269 ( -0.841 -0.000 -0.588) 1.026 2.447 ( 6.647 0.000 3.362) 7.449 2.517 ( 6.716 0.000 -3.230) 7.452 2.758 ( -5.811 -0.000 5.875) 8.263 2.938 ( -4.821 -0.000 -10.313) 11.384 3.602 ( -14.910 -0.000 5.412) 15.862 3.767 ( -12.058 -0.000 -11.431) 16.615 4.682 ( -4.490 -0.000 5.373) 7.002 4.780 ( -6.260 -0.000 -4.396) 7.649 5.935 ( 16.586 0.000 4.295) 17.133 6.018 ( 14.777 0.000 -3.811) 15.260 6.426 ( -1.660 -0.000 2.711) 3.179 6.484 ( -1.659 -0.000 -3.043) 3.466======================= Grid point 619 (181/215) =======================q-point: ( 0.17 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 0.716 -0.730 6.228) 6.311 0.990 ( 2.160 -0.883 0.258) 2.348 1.292 ( 1.386 0.134 1.738) 2.227 1.318 ( 0.917 0.149 -1.256) 1.562 1.416 ( 4.291 0.583 1.108) 4.470 1.420 ( 3.037 -0.150 0.511) 3.083 1.592 ( 1.525 3.191 1.939) 4.034 1.611 ( 1.966 -0.893 0.330) 2.185 1.801 ( -4.640 0.157 1.372) 4.841 1.837 ( -2.678 -0.775 -1.234) 3.048 2.258 ( 2.290 0.092 3.010) 3.783 2.270 ( 1.047 -0.071 1.580) 1.897 2.575 ( 6.500 0.265 3.093) 7.203 2.621 ( -0.738 -0.321 2.333) 2.468 2.667 ( 1.387 -0.235 -0.863) 1.651 2.835 ( -6.055 -1.557 -12.222) 13.729 3.331 ( -12.335 1.234 6.058) 13.798 3.525 ( -12.214 1.103 -13.602) 18.315 4.632 ( -1.298 -0.380 3.684) 3.924 4.698 ( -2.848 -0.765 -2.897) 4.134 6.215 ( 12.655 0.727 3.326) 13.105 6.271 ( 11.215 0.281 -2.143) 11.421 6.395 ( -1.404 -0.417 2.627) 3.008 6.450 ( -1.823 -0.230 -2.919) 3.449======================= Grid point 620 (182/215) =======================q-point: ( 0.25 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 1.487 -1.078 4.957) 5.286 1.024 ( 0.730 -1.164 -1.739) 2.217 1.300 ( 0.035 0.905 2.070) 2.260 1.316 ( -0.577 0.646 0.451) 0.977 1.484 ( 3.240 0.388 1.504) 3.593 1.506 ( 4.025 0.329 0.098) 4.040 1.578 ( -0.360 5.272 2.338) 5.778 1.624 ( -0.625 2.740 -1.633) 3.250 1.709 ( -4.437 -1.517 0.978) 4.790 1.771 ( -4.424 -3.540 -4.075) 6.979 2.297 ( 1.813 0.073 2.466) 3.062 2.306 ( 2.159 -0.364 2.113) 3.043 2.559 ( -2.316 -0.561 1.648) 2.897 2.683 ( 3.828 0.007 0.865) 3.925 2.726 ( -3.572 -1.454 -9.930) 10.653 2.761 ( 3.132 -1.070 -4.883) 5.899 3.133 ( -7.624 1.273 5.134) 9.279 3.313 ( -8.866 1.459 -12.913) 15.731 4.623 ( -0.013 -0.304 2.438) 2.457 4.665 ( -1.233 -0.639 -1.702) 2.197 6.345 ( -0.599 0.892 2.808) 3.006 6.402 ( 1.565 0.343 -2.340) 2.836 6.434 ( 5.382 -0.218 1.973) 5.736 6.469 ( 6.736 -0.411 -0.941) 6.814======================= Grid point 621 (183/215) =======================q-point: ( 0.33 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 1.398 -1.074 2.421) 2.994 1.031 ( -0.137 -0.767 -2.044) 2.188 1.277 ( -1.715 2.275 2.923) 4.082 1.305 ( -0.222 0.461 0.777) 0.931 1.496 ( -1.173 1.947 0.390) 2.306 1.520 ( -2.811 2.138 -2.192) 4.157 1.578 ( 2.113 1.842 1.472) 3.166 1.601 ( 1.174 1.560 0.011) 1.953 1.664 ( -1.657 -1.812 0.294) 2.473 1.722 ( -2.033 -3.369 -4.444) 5.936 2.331 ( 1.695 -0.081 1.282) 2.127 2.341 ( 1.236 -0.369 1.113) 1.704 2.545 ( 0.656 0.566 -2.689) 2.826 2.636 ( -4.379 -3.182 -11.299) 12.528 2.758 ( 2.395 0.329 2.107) 3.207 2.822 ( 2.233 -0.131 -3.702) 4.325 3.025 ( -3.410 0.812 4.381) 5.611 3.180 ( -4.530 1.002 -10.667) 11.633 4.628 ( 0.404 -0.134 1.364) 1.429 4.650 ( -0.667 -0.230 -0.720) 1.008 6.324 ( -0.854 0.168 2.929) 3.056 6.387 ( -0.835 0.110 -3.277) 3.384 6.549 ( 4.489 0.135 2.157) 4.982 6.570 ( 3.356 0.062 0.041) 3.357======================= Grid point 622 (184/215) =======================q-point: ( 0.42 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 0.795 -0.389 0.504) 1.019 1.034 ( 0.447 0.140 -1.793) 1.853 1.234 ( -1.435 0.797 4.413) 4.708 1.296 ( -0.560 0.061 -0.346) 0.661 1.461 ( -1.437 0.188 -1.955) 2.433 1.470 ( -1.031 -0.034 -1.489) 1.811 1.596 ( -1.358 -0.692 1.057) 1.855 1.607 ( -0.349 -0.472 0.884) 1.061 1.656 ( 0.790 -0.084 0.720) 1.072 1.728 ( 1.741 0.338 -5.034) 5.337 2.354 ( -0.101 0.038 1.124) 1.129 2.356 ( 0.704 0.209 0.999) 1.240 2.551 ( -1.159 -0.219 -4.736) 4.881 2.613 ( 2.712 0.118 -10.541) 10.885 2.779 ( -0.123 0.144 1.798) 1.808 2.844 ( -0.040 -0.192 -4.473) 4.477 2.989 ( -0.260 0.277 4.327) 4.344 3.128 ( -0.809 -0.201 -8.985) 9.024 4.637 ( 0.154 0.045 0.405) 0.435 4.640 ( 0.000 -0.047 0.149) 0.156 6.315 ( -0.076 -0.000 2.967) 2.968 6.378 ( -0.048 0.000 -3.288) 3.288 6.595 ( -0.681 -0.048 1.207) 1.387 6.597 ( 0.501 0.049 1.088) 1.198======================= Grid point 623 (185/215) =======================q-point: (-0.50 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( -0.309 1.824 1.941) 2.682 1.050 ( 1.371 1.135 -1.514) 2.336 1.232 ( 0.795 -2.452 3.752) 4.552 1.286 ( -0.628 -1.350 -0.333) 1.526 1.458 ( -0.534 -2.117 -0.250) 2.198 1.470 ( 1.320 -2.754 -2.405) 3.887 1.555 ( -2.992 -0.800 1.327) 3.370 1.573 ( -3.196 -1.490 -0.177) 3.531 1.693 ( 2.901 1.191 2.028) 3.735 1.774 ( 3.407 2.179 -5.199) 6.586 2.336 ( -1.454 0.494 2.008) 2.528 2.351 ( -1.050 0.659 0.887) 1.525 2.541 ( 0.751 0.062 0.470) 0.888 2.696 ( 5.275 2.916 -13.005) 14.334 2.754 ( -2.400 -0.112 1.824) 3.016 2.825 ( -1.683 0.217 -5.535) 5.790 3.011 ( 2.619 -0.434 4.060) 4.851 3.151 ( 2.869 -2.108 -9.450) 10.098 4.631 ( -0.202 0.182 1.426) 1.452 4.655 ( 1.161 0.305 -0.908) 1.505 6.320 ( 0.518 -0.229 2.971) 3.025 6.385 ( 0.614 -0.146 -3.361) 3.419 6.546 ( -4.452 -0.187 2.282) 5.006 6.569 ( -3.377 -0.087 -0.005) 3.378======================= Grid point 624 (186/215) =======================q-point: (-0.42 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( -0.811 3.073 5.138) 6.041 1.062 ( 0.413 2.972 -1.665) 3.431 1.267 ( 0.853 -2.873 2.783) 4.089 1.292 ( 0.709 -1.965 0.247) 2.104 1.462 ( -1.027 -2.760 1.527) 3.317 1.486 ( -3.898 -2.870 -0.735) 4.896 1.502 ( -2.526 -1.147 1.549) 3.178 1.540 ( 1.461 -4.710 -2.792) 5.667 1.746 ( 3.173 1.656 2.948) 4.637 1.829 ( 3.159 2.565 -4.555) 6.108 2.299 ( -2.104 0.353 2.889) 3.591 2.316 ( -2.113 0.664 1.532) 2.693 2.579 ( 3.266 1.491 4.738) 5.945 2.681 ( -4.381 0.049 1.874) 4.765 2.733 ( -2.936 -0.589 -4.548) 5.446 2.827 ( 4.684 5.466 -13.227) 15.059 3.099 ( 6.227 -2.030 4.476) 7.933 3.264 ( 7.567 -4.033 -12.283) 14.980 4.632 ( 0.501 0.610 2.815) 2.923 4.683 ( 2.219 1.228 -2.277) 3.408 6.322 ( -1.959 -1.359 3.257) 4.037 6.390 ( -1.713 -0.858 -3.409) 3.910 6.441 ( -4.959 0.507 2.627) 5.635 6.479 ( -4.775 0.490 -0.923) 4.888======================= Grid point 625 (187/215) =======================q-point: (-0.33 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.964 ( -0.284 3.413 6.520) 7.364 1.034 ( -1.520 3.873 -0.084) 4.161 1.284 ( -0.131 -0.843 2.216) 2.374 1.310 ( -0.408 -0.868 -0.786) 1.240 1.397 ( -4.836 -1.364 0.962) 5.116 1.417 ( -2.752 -0.475 -0.514) 2.840 1.513 ( 0.353 -4.901 3.895) 6.271 1.583 ( -0.107 -3.514 -2.831) 4.514 1.801 ( 3.057 0.168 3.078) 4.342 1.862 ( 1.069 1.517 -2.186) 2.867 2.256 ( -2.224 0.026 3.232) 3.924 2.273 ( -1.814 0.278 1.580) 2.421 2.564 ( -6.002 -0.829 2.721) 6.641 2.624 ( -4.411 -0.456 -1.581) 4.708 2.693 ( 4.133 3.122 5.146) 7.302 2.905 ( 5.455 5.634 -12.239) 14.536 3.274 ( 10.627 -4.507 5.846) 12.939 3.470 ( 11.471 -4.879 -14.226) 18.915 4.649 ( 1.967 1.427 4.406) 5.031 4.732 ( 3.936 2.660 -3.801) 6.084 6.185 ( -12.099 -2.177 4.110) 12.962 6.257 ( -11.183 -1.117 -2.907) 11.609 6.412 ( 1.203 1.198 2.260) 2.826 6.460 ( 1.487 0.720 -2.528) 3.020======================= Grid point 626 (188/215) =======================q-point: (-0.25 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 0.939 3.198 6.030) 6.890 0.983 ( -1.604 4.046 3.056) 5.318 1.233 ( -4.802 0.623 -0.091) 4.843 1.265 ( -4.433 0.181 -3.342) 5.555 1.354 ( 0.089 -1.496 4.309) 4.562 1.406 ( 0.966 0.246 -0.813) 1.286 1.520 ( -1.672 -2.351 2.703) 3.953 1.559 ( -2.963 -0.353 -0.892) 3.114 1.853 ( -0.347 -0.538 2.528) 2.608 1.857 ( 1.071 -0.675 2.234) 2.568 2.223 ( -1.023 -0.459 3.587) 3.758 2.257 ( 0.027 -1.117 0.026) 1.117 2.443 ( -6.470 -0.384 3.014) 7.148 2.509 ( -6.618 -0.808 -3.264) 7.423 2.790 ( 5.941 3.607 7.064) 9.910 2.979 ( 4.404 4.222 -9.983) 11.699 3.536 ( 13.502 -6.681 6.242) 16.307 3.723 ( 11.988 -4.707 -12.839) 18.185 4.704 ( 4.938 2.217 6.087) 8.146 4.818 ( 6.731 3.704 -5.204) 9.279 5.919 ( -16.320 -1.658 4.877) 17.113 6.011 ( -14.605 -0.767 -4.140) 15.200 6.437 ( 1.670 1.091 2.266) 3.019 6.489 ( 1.647 0.533 -2.853) 3.337======================= Grid point 627 (189/215) =======================q-point: (-0.17 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.944 ( -0.537 3.804 6.334) 7.408 0.975 ( 2.319 2.257 5.110) 6.049 1.132 ( -4.728 1.513 -1.380) 5.152 1.179 ( -3.787 -0.043 -4.226) 5.675 1.376 ( 1.225 -0.376 4.245) 4.434 1.428 ( 1.145 0.419 -0.823) 1.471 1.473 ( -3.092 0.541 1.818) 3.628 1.498 ( -2.741 0.283 -0.412) 2.786 1.824 ( -1.526 -0.252 7.297) 7.459 1.885 ( 0.500 -1.143 0.939) 1.562 2.224 ( 0.543 -1.205 4.205) 4.408 2.277 ( 1.047 -2.099 -1.079) 2.582 2.335 ( -4.483 -0.076 3.048) 5.422 2.398 ( -4.820 -0.476 -2.976) 5.684 2.867 ( 3.361 2.844 6.347) 7.725 3.031 ( 2.485 2.930 -8.587) 9.407 3.806 ( 9.934 -7.408 3.867) 12.981 3.936 ( 7.549 -3.351 -9.485) 12.577 4.836 ( 10.054 2.070 7.259) 12.572 4.964 ( 9.872 3.303 -5.523) 11.784 5.590 ( -17.846 -0.735 6.715) 19.081 5.724 ( -14.690 -0.257 -6.464) 16.051 6.459 ( 1.012 0.976 2.318) 2.711 6.513 ( 0.985 0.458 -2.991) 3.182======================= Grid point 628 (190/215) =======================q-point: (-0.08 0.08 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( -0.000 2.902 8.064) 8.570 1.009 ( -0.000 0.576 7.918) 7.939 1.060 ( -0.000 2.328 -5.248) 5.741 1.140 ( 0.000 -0.094 -4.949) 4.950 1.393 ( -0.000 0.100 3.744) 3.745 1.429 ( -0.000 0.477 2.826) 2.866 1.441 ( -0.000 0.724 -0.885) 1.144 1.468 ( -0.000 0.161 -0.978) 0.991 1.809 ( 0.000 -0.259 8.954) 8.958 1.892 ( 0.000 -0.662 0.435) 0.792 2.240 ( 0.000 -1.187 4.886) 5.029 2.287 ( -0.000 0.050 2.776) 2.777 2.302 ( 0.000 -1.840 -1.168) 2.180 2.347 ( 0.000 -0.188 -3.073) 3.078 2.889 ( -0.000 1.922 5.953) 6.256 3.044 ( -0.000 1.960 -8.233) 8.463 3.936 ( 0.000 -6.047 1.452) 6.219 4.021 ( 0.000 -1.679 -7.257) 7.449 4.994 ( -0.000 0.915 5.757) 5.829 5.089 ( -0.000 2.397 -3.901) 4.579 5.348 ( 0.000 -0.012 9.842) 9.842 5.541 ( 0.000 -0.008 -9.201) 9.201 6.465 ( -0.000 0.724 2.443) 2.548 6.521 ( -0.000 0.338 -3.062) 3.080======================= Grid point 631 (191/215) =======================q-point: ( 0.17 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 1.572 0.000 4.929) 5.174 1.018 ( 0.874 0.000 -1.722) 1.931 1.304 ( 0.190 0.000 1.974) 1.983 1.318 ( -0.566 -0.000 0.467) 0.734 1.485 ( 3.343 0.000 1.477) 3.655 1.508 ( 4.022 0.000 0.126) 4.024 1.613 ( -0.835 -0.000 2.856) 2.976 1.626 ( 0.448 0.000 0.080) 0.455 1.707 ( -4.534 -0.000 -1.018) 4.647 1.750 ( -5.339 -0.000 -4.143) 6.758 2.298 ( 1.672 0.000 2.340) 2.876 2.305 ( 2.268 0.000 2.316) 3.241 2.556 ( -2.084 -0.000 1.038) 2.328 2.683 ( 3.023 0.000 -0.197) 3.029 2.719 ( -4.066 -0.000 -10.002) 10.797 2.757 ( 4.428 0.000 -3.288) 5.516 3.139 ( -7.829 -0.000 5.101) 9.344 3.320 ( -9.046 -0.000 -12.958) 15.803 4.621 ( 0.061 0.000 2.376) 2.377 4.662 ( -1.073 -0.000 -1.608) 1.934 6.349 ( -1.290 -0.000 2.710) 3.001 6.404 ( 2.112 0.000 -1.868) 2.820 6.433 ( 4.909 0.000 1.580) 5.157 6.467 ( 7.304 0.000 -0.930) 7.363======================= Grid point 632 (192/215) =======================q-point: ( 0.25 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.980 ( 1.551 -0.374 2.510) 2.974 1.027 ( 0.145 -0.274 -2.124) 2.147 1.293 ( -1.747 1.229 2.364) 3.186 1.305 ( -0.279 -0.240 1.391) 1.439 1.510 ( -1.593 0.869 0.322) 1.843 1.532 ( -2.215 0.644 -1.453) 2.727 1.592 ( 0.782 1.103 2.431) 2.782 1.613 ( -1.218 0.932 -0.096) 1.536 1.652 ( -1.136 -0.609 -1.174) 1.743 1.696 ( -0.159 -2.130 -4.488) 4.971 2.331 ( 1.761 -0.006 1.055) 2.053 2.339 ( 1.293 -0.115 1.302) 1.838 2.550 ( 1.317 0.480 -3.969) 4.209 2.614 ( -4.277 -1.465 -10.278) 11.228 2.761 ( 2.377 0.144 2.124) 3.191 2.821 ( 2.209 -0.060 -3.156) 3.853 3.030 ( -3.627 0.326 4.152) 5.523 3.186 ( -4.905 0.331 -10.860) 11.921 4.628 ( 0.460 -0.049 1.347) 1.425 4.648 ( -0.535 -0.085 -0.669) 0.861 6.325 ( -0.945 0.061 2.918) 3.068 6.388 ( -0.896 0.040 -3.255) 3.376 6.549 ( 4.500 0.049 2.123) 4.976 6.571 ( 3.352 0.023 0.054) 3.352======================= Grid point 633 (193/215) =======================q-point: ( 0.33 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 1.243 -0.327 0.741) 1.484 1.035 ( 0.858 0.082 -2.038) 2.213 1.243 ( -2.523 0.897 4.338) 5.098 1.296 ( -0.847 -0.045 0.211) 0.874 1.463 ( -2.280 0.236 -1.891) 2.971 1.470 ( -2.214 -0.043 -2.230) 3.142 1.590 ( -1.588 -0.443 1.002) 1.929 1.600 ( -1.159 -0.805 0.570) 1.522 1.656 ( 1.628 0.009 1.294) 2.079 1.731 ( 2.736 0.293 -5.141) 5.831 2.355 ( 0.263 0.093 1.254) 1.285 2.357 ( 0.774 0.155 1.054) 1.317 2.549 ( -1.849 -0.212 -4.678) 5.035 2.614 ( 4.535 0.110 -10.657) 11.582 2.781 ( -0.210 0.153 1.743) 1.762 2.842 ( -0.078 -0.200 -3.978) 3.984 2.991 ( -0.409 0.283 3.749) 3.782 3.126 ( -1.430 -0.208 -8.871) 8.988 4.638 ( 0.348 0.073 0.351) 0.500 4.640 ( -0.082 -0.075 0.203) 0.231 6.315 ( -0.132 -0.000 2.967) 2.970 6.378 ( -0.083 0.000 -3.288) 3.289 6.595 ( -0.781 -0.029 1.244) 1.469 6.597 ( 0.469 0.030 1.051) 1.152======================= Grid point 634 (194/215) =======================q-point: (-0.58 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( 0.901 1.516 1.538) 2.340 1.059 ( 1.821 0.845 -1.015) 2.250 1.213 ( -0.250 -1.675 3.895) 4.247 1.275 ( -1.388 -1.099 -0.563) 1.858 1.441 ( -0.940 -1.610 -0.715) 1.997 1.449 ( -0.040 -1.860 -2.310) 2.967 1.549 ( -2.819 -0.408 1.121) 3.061 1.561 ( -3.117 -1.129 0.177) 3.320 1.701 ( 3.039 0.652 2.352) 3.898 1.789 ( 3.608 1.298 -5.573) 6.765 2.341 ( -1.392 0.496 2.308) 2.740 2.356 ( -0.938 0.506 0.936) 1.419 2.542 ( 1.360 0.117 1.579) 2.087 2.716 ( 5.041 1.699 -12.759) 13.824 2.753 ( -2.371 0.024 1.567) 2.842 2.827 ( -0.684 0.305 -6.301) 6.345 3.010 ( 2.474 0.195 2.674) 3.648 3.132 ( 1.752 -2.030 -8.347) 8.767 4.633 ( -0.113 0.133 1.453) 1.464 4.657 ( 1.391 0.220 -0.992) 1.723 6.318 ( 0.363 -0.167 2.992) 3.019 6.384 ( 0.512 -0.106 -3.400) 3.440 6.544 ( -4.437 -0.138 2.341) 5.018 6.568 ( -3.388 -0.064 -0.027) 3.389======================= Grid point 635 (195/215) =======================q-point: (-0.50 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -0.257 3.805 5.235) 6.477 1.089 ( 1.456 2.948 -1.145) 3.481 1.239 ( 0.943 -3.226 2.925) 4.456 1.272 ( 0.810 -2.614 -0.030) 2.736 1.434 ( -0.844 -3.011 0.671) 3.198 1.461 ( -2.427 -2.865 -1.791) 4.160 1.496 ( -3.187 -0.510 0.984) 3.374 1.508 ( -0.446 -2.448 -1.049) 2.701 1.758 ( 2.993 0.957 3.279) 4.541 1.848 ( 2.870 1.687 -4.903) 5.927 2.303 ( -2.220 0.427 3.126) 3.858 2.322 ( -2.160 0.641 1.380) 2.642 2.591 ( 3.194 1.138 5.803) 6.721 2.684 ( -3.686 0.684 1.919) 4.212 2.726 ( -3.412 -0.946 -3.883) 5.255 2.874 ( 5.709 4.733 -13.317) 15.243 3.086 ( 5.521 -0.571 2.240) 5.986 3.224 ( 6.536 -4.892 -11.294) 13.936 4.637 ( 0.786 0.527 3.019) 3.164 4.693 ( 2.758 1.043 -2.589) 3.924 6.311 ( -2.843 -1.075 3.455) 4.601 6.383 ( -2.228 -0.709 -3.623) 4.312 6.445 ( -4.372 0.377 2.648) 5.126 6.482 ( -4.154 0.344 -0.896) 4.263======================= Grid point 636 (196/215) =======================q-point: (-0.42 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -0.020 4.292 6.737) 7.988 1.072 ( -1.150 4.586 -0.205) 4.732 1.274 ( 1.281 -1.527 2.957) 3.566 1.300 ( -0.078 -1.234 -0.273) 1.266 1.385 ( -5.041 -1.466 0.311) 5.259 1.411 ( -2.070 -0.908 -1.364) 2.640 1.474 ( 0.288 -3.818 4.048) 5.572 1.548 ( 0.954 -4.301 -3.384) 5.555 1.803 ( 2.042 0.168 3.665) 4.198 1.874 ( 0.456 1.194 -2.709) 2.996 2.257 ( -2.328 0.160 3.455) 4.170 2.276 ( -2.170 0.380 1.655) 2.755 2.557 ( -5.837 -0.775 2.415) 6.365 2.617 ( -5.566 -0.853 -2.911) 6.339 2.726 ( 5.866 4.118 7.946) 10.701 2.956 ( 5.085 5.487 -11.188) 13.459 3.235 ( 9.231 -3.942 4.554) 11.022 3.421 ( 11.030 -6.022 -14.704) 19.343 4.662 ( 2.439 1.415 4.876) 5.632 4.756 ( 4.655 2.554 -4.390) 6.890 6.166 ( -12.000 -1.975 4.551) 12.985 6.247 ( -11.102 -1.095 -3.314) 11.637 6.422 ( 1.178 1.024 2.052) 2.578 6.466 ( 1.357 0.649 -2.316) 2.762======================= Grid point 637 (197/215) =======================q-point: (-0.33 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( 0.917 4.123 6.307) 7.591 1.024 ( -1.334 4.922 2.673) 5.757 1.238 ( -4.424 0.525 -0.242) 4.462 1.267 ( -4.540 0.268 -3.313) 5.627 1.341 ( 0.930 -1.405 5.139) 5.408 1.410 ( 1.308 0.625 -1.709) 2.241 1.495 ( -0.398 -3.174 3.573) 4.796 1.552 ( -1.915 -1.219 -1.760) 2.873 1.840 ( 1.293 -1.818 2.581) 3.411 1.858 ( -1.461 0.213 1.526) 2.123 2.219 ( -1.425 -0.379 3.630) 3.918 2.247 ( -0.781 -1.039 0.708) 1.480 2.439 ( -6.299 -0.428 2.634) 6.841 2.501 ( -6.509 -1.002 -3.274) 7.355 2.829 ( 6.123 5.065 8.110) 11.354 3.020 ( 3.963 4.781 -9.072) 10.994 3.471 ( 12.190 -7.676 6.549) 15.824 3.675 ( 11.948 -5.993 -14.256) 19.542 4.725 ( 5.313 2.464 6.716) 8.911 4.853 ( 7.137 4.015 -5.922) 10.106 5.903 ( -16.099 -1.856 5.418) 17.088 6.003 ( -14.436 -0.887 -4.448) 15.132 6.448 ( 1.706 1.168 1.878) 2.792 6.495 ( 1.646 0.604 -2.682) 3.204======================= Grid point 638 (198/215) =======================q-point: (-0.25 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.984 ( -0.286 5.183 5.766) 7.758 0.999 ( 1.691 2.922 5.762) 6.678 1.148 ( -3.899 2.035 -1.994) 4.829 1.178 ( -3.883 -0.061 -3.721) 5.378 1.373 ( 1.700 -0.012 4.494) 4.805 1.434 ( 1.261 0.913 -1.177) 1.952 1.476 ( -2.108 0.036 1.738) 2.733 1.502 ( -2.661 0.634 -0.387) 2.763 1.820 ( -1.682 -0.462 6.389) 6.623 1.871 ( 0.582 -1.941 1.123) 2.316 2.212 ( 0.143 -1.496 4.069) 4.337 2.255 ( 0.571 -2.744 -0.336) 2.823 2.335 ( -4.390 -0.112 2.739) 5.176 2.393 ( -4.715 -0.650 -2.911) 5.579 2.900 ( 3.369 4.550 6.918) 8.940 3.062 ( 2.272 3.909 -7.902) 9.104 3.728 ( 9.288 -9.664 5.663) 14.551 3.897 ( 7.844 -5.158 -11.590) 14.915 4.857 ( 9.816 2.641 7.815) 12.822 4.998 ( 9.707 4.191 -6.183) 12.248 5.582 ( -17.359 -1.009 7.074) 18.772 5.721 ( -14.452 -0.353 -6.625) 15.902 6.470 ( 1.050 1.276 1.867) 2.493 6.518 ( 1.004 0.624 -2.850) 3.085======================= Grid point 639 (199/215) =======================q-point: (-0.17 0.17 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( -0.000 4.914 7.558) 9.015 1.017 ( -0.000 1.010 7.554) 7.621 1.088 ( -0.000 3.823 -4.940) 6.246 1.138 ( 0.000 -0.189 -4.429) 4.433 1.395 ( -0.000 0.376 4.043) 4.060 1.435 ( -0.000 0.849 2.543) 2.681 1.451 ( -0.000 1.517 -1.336) 2.021 1.470 ( -0.000 0.264 -0.814) 0.856 1.805 ( 0.000 -0.533 8.478) 8.495 1.883 ( 0.000 -1.404 0.530) 1.501 2.226 ( 0.000 -1.967 4.639) 5.039 2.279 ( 0.000 -3.164 -0.649) 3.230 2.287 ( -0.000 0.101 2.597) 2.599 2.345 ( 0.000 -0.342 -2.955) 2.974 2.914 ( -0.000 3.727 6.386) 7.394 3.068 ( -0.000 3.323 -7.760) 8.442 3.866 ( 0.000 -9.425 3.759) 10.147 3.995 ( 0.000 -3.968 -9.499) 10.295 5.005 ( -0.000 1.644 6.560) 6.763 5.117 ( -0.000 3.703 -4.734) 6.010 5.348 ( 0.000 -0.021 9.845) 9.845 5.541 ( 0.000 -0.014 -9.203) 9.203 6.474 ( -0.000 1.218 2.038) 2.374 6.525 ( -0.000 0.585 -2.949) 3.006======================= Grid point 644 (200/215) =======================q-point: ( 0.25 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( 1.378 0.000 0.840) 1.614 1.036 ( 1.020 0.000 -2.139) 2.370 1.247 ( -2.960 -0.000 4.291) 5.212 1.296 ( -0.883 -0.000 0.510) 1.020 1.464 ( -2.282 -0.000 -1.517) 2.740 1.470 ( -3.044 -0.000 -2.974) 4.256 1.588 ( -1.601 -0.000 0.776) 1.779 1.596 ( -1.372 -0.000 0.712) 1.546 1.656 ( 1.933 0.000 1.497) 2.445 1.732 ( 3.028 0.000 -5.192) 6.010 2.355 ( 0.426 0.000 1.315) 1.382 2.358 ( 0.766 0.000 1.086) 1.329 2.548 ( -2.053 -0.000 -4.651) 5.084 2.614 ( 5.152 0.000 -10.712) 11.887 2.782 ( -0.240 -0.000 1.711) 1.728 2.841 ( -0.095 -0.000 -3.734) 3.735 2.993 ( -0.447 -0.000 3.464) 3.493 3.125 ( -1.669 -0.000 -8.812) 8.969 4.638 ( 0.724 0.000 0.293) 0.781 4.639 ( -0.416 -0.000 0.260) 0.491 6.315 ( -0.153 -0.000 2.967) 2.971 6.378 ( -0.095 -0.000 -3.288) 3.289 6.595 ( -0.809 -0.000 1.257) 1.495 6.597 ( 0.450 0.000 1.038) 1.131======================= Grid point 645 (201/215) =======================q-point: (-0.67 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 2.201 0.605 1.160) 2.561 1.064 ( 1.738 0.308 -0.548) 1.848 1.203 ( -1.057 -0.586 3.918) 4.100 1.268 ( -1.999 -0.425 -0.597) 2.129 1.432 ( -1.296 -0.542 -0.906) 1.671 1.437 ( -0.623 -0.733 -2.440) 2.623 1.548 ( -2.704 -0.061 0.906) 2.853 1.554 ( -2.960 -0.481 0.534) 3.046 1.705 ( 3.075 0.203 2.500) 3.969 1.797 ( 3.688 0.428 -5.787) 6.875 2.344 ( -1.384 0.211 2.464) 2.834 2.359 ( -0.856 0.188 0.997) 1.328 2.543 ( 1.717 0.052 2.164) 2.763 2.726 ( 4.678 0.529 -12.392) 13.256 2.754 ( -2.514 0.008 1.544) 2.951 2.829 ( 0.276 0.163 -6.682) 6.690 3.013 ( 2.674 0.271 1.110) 2.908 3.118 ( 0.813 -0.926 -7.311) 7.414 4.634 ( -0.063 0.048 1.469) 1.471 4.659 ( 1.524 0.080 -1.040) 1.847 6.317 ( 0.274 -0.061 3.005) 3.018 6.383 ( 0.455 -0.039 -3.423) 3.453 6.543 ( -4.429 -0.051 2.374) 5.025 6.568 ( -3.395 -0.024 -0.040) 3.396======================= Grid point 646 (202/215) =======================q-point: (-0.58 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.245 3.909 5.282) 6.576 1.108 ( 2.846 0.815 0.574) 3.015 1.217 ( 0.430 -1.233 1.731) 2.168 1.247 ( 0.748 -3.027 -0.358) 3.138 1.414 ( -1.166 -1.566 -0.026) 1.952 1.437 ( -1.183 -2.162 -2.796) 3.727 1.492 ( -3.411 -0.388 0.911) 3.552 1.495 ( -1.909 -0.661 0.339) 2.049 1.764 ( 2.917 0.426 3.490) 4.569 1.859 ( 2.718 0.831 -5.156) 5.887 2.306 ( -2.311 0.289 3.307) 4.045 2.326 ( -2.195 0.399 1.309) 2.586 2.598 ( 2.651 0.504 6.099) 6.669 2.693 ( -2.594 1.180 2.091) 3.535 2.717 ( -3.495 -1.116 -3.244) 4.898 2.906 ( 6.009 2.406 -11.235) 12.966 3.092 ( 5.785 2.022 -2.817) 6.745 3.179 ( 5.094 -4.976 -9.171) 11.611 4.641 ( 0.994 0.303 3.165) 3.331 4.701 ( 3.141 0.594 -2.811) 4.257 6.304 ( -3.373 -0.589 3.586) 4.959 6.378 ( -2.580 -0.394 -3.744) 4.564 6.448 ( -3.989 0.194 2.643) 4.789 6.485 ( -3.796 0.174 -0.876) 3.900======================= Grid point 647 (203/215) =======================q-point: (-0.50 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 0.029 4.261 6.949) 8.151 1.112 ( -1.030 4.188 -0.134) 4.315 1.257 ( 3.077 -2.323 4.128) 5.649 1.289 ( 0.326 -1.330 0.238) 1.390 1.373 ( -4.811 -1.046 -0.813) 4.990 1.400 ( -0.979 -1.540 -1.854) 2.602 1.450 ( -0.732 -1.467 3.072) 3.482 1.511 ( 1.228 -3.814 -3.101) 5.067 1.804 ( 1.369 0.114 4.024) 4.252 1.883 ( 0.067 0.749 -3.111) 3.200 2.258 ( -2.446 0.176 3.685) 4.426 2.279 ( -2.422 0.349 1.745) 3.006 2.551 ( -5.711 -0.532 2.102) 6.109 2.610 ( -6.009 -0.769 -3.525) 7.009 2.762 ( 7.129 3.804 10.006) 12.861 2.996 ( 4.641 3.143 -7.966) 9.740 3.212 ( 7.641 -0.896 1.056) 7.766 3.366 ( 10.932 -6.249 -15.280) 19.800 4.673 ( 2.832 1.025 5.256) 6.058 4.776 ( 5.239 1.814 -4.868) 7.378 6.151 ( -12.000 -1.357 4.889) 13.029 6.238 ( -11.046 -0.782 -3.615) 11.649 6.429 ( 1.200 0.664 1.905) 2.347 6.471 ( 1.294 0.440 -2.167) 2.562======================= Grid point 648 (204/215) =======================q-point: (-0.42 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( 0.641 4.097 6.526) 7.732 1.067 ( -1.231 4.566 2.391) 5.299 1.241 ( -4.025 0.130 -0.160) 4.031 1.268 ( -4.956 0.078 -3.102) 5.847 1.332 ( 2.502 -0.372 5.683) 6.221 1.417 ( 1.888 1.092 -2.715) 3.483 1.465 ( 0.408 -3.467 4.232) 5.486 1.537 ( -0.541 -2.217 -2.630) 3.482 1.824 ( 0.691 -1.613 3.201) 3.650 1.859 ( -1.991 0.139 0.390) 2.033 2.216 ( -1.778 -0.225 3.718) 4.127 2.239 ( -1.583 -0.690 1.444) 2.251 2.436 ( -6.129 -0.332 2.204) 6.521 2.492 ( -6.389 -0.953 -3.252) 7.232 2.878 ( 6.452 5.814 9.036) 12.533 3.058 ( 3.473 3.527 -6.885) 8.479 3.407 ( 10.728 -6.423 5.825) 13.794 3.621 ( 12.080 -6.015 -15.877) 20.837 4.745 ( 5.635 2.055 7.289) 9.439 4.886 ( 7.497 3.302 -6.585) 10.511 5.887 ( -15.915 -1.571 5.933) 17.057 5.996 ( -14.273 -0.768 -4.739) 15.059 6.457 ( 1.759 0.939 1.538) 2.518 6.500 ( 1.653 0.515 -2.532) 3.068======================= Grid point 649 (205/215) =======================q-point: (-0.33 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.024 ( 0.842 2.807 6.264) 6.915 1.031 ( -0.241 5.121 5.101) 7.232 1.166 ( -2.974 1.634 -2.213) 4.051 1.178 ( -3.850 0.157 -3.109) 4.951 1.377 ( 2.170 0.920 4.621) 5.187 1.445 ( 1.331 1.497 -1.441) 2.468 1.472 ( -0.834 -0.943 2.075) 2.427 1.509 ( -2.168 0.804 -0.994) 2.517 1.816 ( -1.857 -0.618 5.102) 5.465 1.851 ( 0.555 -2.509 1.405) 2.929 2.199 ( -0.344 -1.294 3.950) 4.171 2.231 ( -0.084 -2.643 0.685) 2.731 2.334 ( -4.266 -0.071 2.365) 4.879 2.387 ( -4.565 -0.684 -2.803) 5.400 2.947 ( 3.365 5.838 7.273) 9.915 3.096 ( 1.998 3.553 -6.443) 7.624 3.641 ( 8.662 -9.640 7.085) 14.770 3.848 ( 8.110 -5.695 -13.853) 17.032 4.880 ( 9.555 2.465 8.413) 12.968 5.034 ( 9.500 3.909 -6.890) 12.370 5.573 ( -16.821 -1.025 7.508) 18.449 5.718 ( -14.172 -0.354 -6.808) 15.727 6.481 ( 1.100 1.212 1.389) 2.147 6.524 ( 1.028 0.624 -2.701) 2.957======================= Grid point 650 (206/215) =======================q-point: (-0.25 0.25 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.007 ( -0.000 5.479 6.892) 8.805 1.027 ( -0.000 1.195 7.024) 7.125 1.124 ( -0.000 4.013 -4.363) 5.928 1.136 ( 0.000 -0.267 -3.709) 3.718 1.400 ( -0.000 0.845 4.461) 4.540 1.443 ( -0.000 1.033 2.146) 2.381 1.468 ( -0.000 2.368 -2.058) 3.137 1.472 ( -0.000 0.264 -0.553) 0.613 1.800 ( 0.000 -0.787 7.610) 7.651 1.868 ( 0.000 -2.180 0.683) 2.285 2.207 ( 0.000 -2.109 4.349) 4.833 2.249 ( 0.000 -3.646 0.217) 3.652 2.288 ( -0.000 0.145 2.332) 2.337 2.341 ( 0.000 -0.428 -2.776) 2.809 2.954 ( -0.000 5.238 6.726) 8.525 3.100 ( -0.000 3.624 -6.722) 7.636 3.776 ( 0.000 -10.519 6.042) 12.131 3.954 ( 0.000 -5.253 -11.995) 13.095 5.022 ( -0.000 1.891 7.455) 7.691 5.151 ( -0.000 3.780 -5.593) 6.751 5.347 ( 0.000 -0.024 9.849) 9.849 5.541 ( 0.000 -0.017 -9.205) 9.205 6.486 ( -0.000 1.347 1.520) 2.031 6.531 ( -0.000 0.676 -2.805) 2.885======================= Grid point 657 (207/215) =======================q-point: (-0.67 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( -0.177 -0.000 5.496) 5.499 1.105 ( 4.115 0.000 2.013) 4.581 1.222 ( 3.075 0.000 -0.727) 3.160 1.222 ( -2.266 -0.000 0.486) 2.318 1.407 ( -1.223 -0.000 -0.274) 1.253 1.427 ( -1.032 -0.000 -2.950) 3.125 1.490 ( -3.319 -0.000 0.974) 3.459 1.493 ( -2.384 -0.000 0.592) 2.457 1.766 ( 2.897 0.000 3.565) 4.594 1.862 ( 2.671 0.000 -5.246) 5.887 2.308 ( -2.347 -0.000 3.375) 4.111 2.328 ( -2.207 -0.000 1.290) 2.556 2.600 ( 2.346 0.000 6.090) 6.527 2.701 ( -1.158 -0.000 3.934) 4.101 2.709 ( -4.397 -0.000 -4.668) 6.413 2.916 ( 5.934 0.000 -9.670) 11.346 3.111 ( 7.846 0.000 -8.455) 11.535 3.148 ( 2.727 0.000 -5.427) 6.074 4.642 ( 1.070 0.000 3.217) 3.391 4.703 ( 3.280 0.000 -2.891) 4.372 6.301 ( -3.551 -0.000 3.632) 5.079 6.376 ( -2.701 -0.000 -3.785) 4.650 6.449 ( -3.860 -0.000 2.639) 4.676 6.485 ( -3.679 -0.000 -0.869) 3.781======================= Grid point 659 (208/215) =======================q-point: (-0.58 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -0.260 2.104 7.106) 7.416 1.141 ( -1.251 1.880 0.070) 2.260 1.238 ( 4.555 -1.480 5.003) 6.926 1.279 ( 0.874 -0.699 0.533) 1.240 1.368 ( -4.682 -0.185 -1.721) 4.991 1.388 ( -0.306 -0.959 -1.964) 2.207 1.445 ( -1.051 -0.042 1.482) 1.817 1.485 ( 0.805 -1.721 -2.190) 2.900 1.805 ( 1.054 0.041 4.196) 4.327 1.887 ( -0.120 0.255 -3.322) 3.334 2.260 ( -2.522 0.075 3.832) 4.588 2.281 ( -2.552 0.143 1.803) 3.128 2.548 ( -5.634 -0.186 1.896) 5.948 2.605 ( -6.181 -0.309 -3.776) 7.250 2.788 ( 8.076 1.663 11.326) 14.009 3.010 ( 4.174 0.497 -4.079) 5.857 3.219 ( 5.755 1.587 -2.474) 6.462 3.318 ( 11.783 -3.813 -16.379) 20.534 4.680 ( 3.054 0.372 5.467) 6.273 4.787 ( 5.563 0.654 -5.133) 7.597 6.143 ( -12.023 -0.482 5.072) 13.058 6.234 ( -11.023 -0.282 -3.774) 11.654 6.433 ( 1.225 0.228 1.831) 2.215 6.474 ( 1.272 0.154 -2.093) 2.454======================= Grid point 660 (209/215) =======================q-point: (-0.50 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 650Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.162 2.744 6.608) 7.157 1.100 ( -1.323 2.753 2.299) 3.823 1.241 ( -3.575 -0.146 0.175) 3.583 1.268 ( -5.369 -0.220 -2.349) 5.864 1.335 ( 4.365 0.937 5.325) 6.949 1.420 ( 2.154 -1.425 -0.108) 2.585 1.445 ( 0.753 0.110 1.105) 1.342 1.515 ( 0.634 -2.583 -3.239) 4.192 1.813 ( 0.035 -0.908 3.705) 3.815 1.860 ( -2.331 0.063 -0.394) 2.364 2.215 ( -1.999 -0.097 3.799) 4.294 2.235 ( -2.166 -0.311 2.010) 2.972 2.433 ( -6.002 -0.162 1.846) 6.282 2.485 ( -6.292 -0.600 -3.209) 7.088 2.927 ( 6.998 4.817 9.654) 12.860 3.077 ( 3.080 0.669 -3.290) 4.556 3.364 ( 9.141 -3.059 3.726) 10.334 3.574 ( 12.485 -4.134 -17.469) 21.866 4.760 ( 5.843 1.155 7.682) 9.721 4.909 ( 7.739 1.846 -7.048) 10.629 5.876 ( -15.799 -0.896 6.301) 17.033 5.990 ( -14.158 -0.442 -4.944) 15.003 6.464 ( 1.806 0.514 1.318) 2.294 6.503 ( 1.665 0.295 -2.435) 2.964======================= Grid point 661 (210/215) =======================q-point: (-0.42 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -0.153 2.010 6.368) 6.679 1.071 ( -0.253 3.669 4.563) 5.860 1.172 ( -3.648 0.085 -2.096) 4.208 1.184 ( -2.256 1.008 -2.346) 3.407 1.390 ( 2.328 2.061 4.570) 5.528 1.458 ( 0.190 -0.239 2.021) 2.044 1.461 ( 1.409 0.017 -0.682) 1.566 1.515 ( -0.969 0.532 -2.294) 2.546 1.810 ( -1.904 -0.533 3.748) 4.237 1.829 ( 0.206 -2.363 1.815) 2.987 2.190 ( -0.749 -0.762 3.832) 3.979 2.210 ( -0.762 -1.920 1.772) 2.721 2.333 ( -4.149 -0.008 2.004) 4.607 2.382 ( -4.413 -0.541 -2.676) 5.189 3.001 ( 3.354 6.151 7.023) 9.920 3.119 ( 1.753 1.516 -3.881) 4.520 3.565 ( 8.082 -7.201 7.603) 13.228 3.801 ( 8.394 -4.593 -15.926) 18.579 4.899 ( 9.339 1.712 8.902) 13.015 5.064 ( 9.313 2.724 -7.484) 12.254 5.565 ( -16.376 -0.767 7.911) 18.203 5.715 ( -13.927 -0.260 -6.964) 15.573 6.490 ( 1.147 0.847 1.012) 1.748 6.529 ( 1.050 0.458 -2.586) 2.829======================= Grid point 662 (211/215) =======================q-point: (-0.33 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 355Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( -0.000 1.075 6.447) 6.536 1.052 ( -0.000 4.531 6.237) 7.709 1.134 ( 0.000 -0.288 -2.964) 2.978 1.156 ( -0.000 3.046 -3.591) 4.709 1.409 ( -0.000 1.225 4.949) 5.098 1.452 ( -0.000 0.984 1.704) 1.968 1.474 ( -0.000 0.149 -0.221) 0.266 1.492 ( -0.000 2.899 -2.976) 4.154 1.792 ( 0.000 -0.861 6.396) 6.454 1.846 ( 0.000 -2.664 0.930) 2.822 2.190 ( 0.000 -1.619 4.079) 4.389 2.218 ( 0.000 -3.212 1.323) 3.474 2.290 ( -0.000 0.158 2.038) 2.044 2.337 ( 0.000 -0.407 -2.571) 2.603 3.005 ( -0.000 6.110 6.562) 8.966 3.128 ( -0.000 2.469 -4.822) 5.418 3.687 ( 0.000 -9.263 7.715) 12.055 3.907 ( 0.000 -5.003 -14.382) 15.228 5.037 ( -0.000 1.596 8.205) 8.359 5.181 ( -0.000 2.959 -6.249) 6.914 5.347 ( 0.000 -0.021 9.852) 9.853 5.541 ( 0.000 -0.014 -9.207) 9.207 6.497 ( -0.000 1.116 1.043) 1.527 6.537 ( -0.000 0.588 -2.674) 2.738======================= Grid point 671 (212/215) =======================q-point: (-0.58 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( -0.108 -0.000 6.602) 6.603 1.113 ( -1.410 -0.000 2.324) 2.719 1.240 ( -3.335 -0.000 0.387) 3.357 1.266 ( -5.459 -0.000 -1.950) 5.796 1.342 ( 5.543 0.000 4.994) 7.461 1.408 ( 1.138 0.000 2.580) 2.820 1.452 ( 1.516 0.000 -1.879) 2.414 1.500 ( 1.072 0.000 -3.407) 3.572 1.809 ( -0.240 -0.000 3.896) 3.903 1.860 ( -2.452 -0.000 -0.669) 2.542 2.215 ( -2.072 -0.000 3.832) 4.356 2.233 ( -2.378 -0.000 2.223) 3.255 2.433 ( -5.955 -0.000 1.703) 6.194 2.482 ( -6.254 -0.000 -3.186) 7.019 2.951 ( 7.453 0.000 9.909) 12.399 3.077 ( 2.843 0.000 -1.227) 3.096 3.351 ( 8.251 0.000 2.388) 8.589 3.554 ( 12.793 0.000 -18.264) 22.298 4.765 ( 5.915 0.000 7.822) 9.806 4.917 ( 7.824 0.000 -7.214) 10.642 5.872 ( -15.761 -0.000 6.434) 17.024 5.988 ( -14.117 -0.000 -5.018) 14.982 6.466 ( 1.824 0.000 1.243) 2.208 6.505 ( 1.670 0.000 -2.402) 2.925======================= Grid point 673 (213/215) =======================q-point: (-0.50 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 648Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -0.794 0.747 6.269) 6.363 1.093 ( -0.322 1.289 4.277) 4.478 1.172 ( -3.937 -0.050 -1.762) 4.314 1.191 ( -1.395 0.399 -1.957) 2.436 1.412 ( 1.700 2.640 4.579) 5.552 1.439 ( 1.901 -2.547 3.385) 4.643 1.472 ( 0.560 0.848 -1.093) 1.492 1.518 ( 0.488 0.131 -3.793) 3.827 1.807 ( -1.254 -0.006 2.763) 3.034 1.813 ( -0.852 -1.220 2.286) 2.727 2.186 ( -0.914 -0.188 3.670) 3.786 2.198 ( -1.253 -0.751 2.573) 2.959 2.333 ( -4.081 0.010 1.773) 4.450 2.378 ( -4.316 -0.211 -2.584) 5.035 3.048 ( 3.425 3.679 6.081) 7.890 3.121 ( 1.579 -0.697 -0.878) 1.936 3.520 ( 7.639 -2.647 7.303) 10.895 3.772 ( 8.623 -1.804 -17.280) 19.396 4.909 ( 9.217 0.609 9.174) 13.018 5.081 ( 9.204 0.974 -7.827) 12.121 5.560 ( -16.129 -0.285 8.160) 18.078 5.714 ( -13.784 -0.095 -7.054) 15.484 6.495 ( 1.175 0.301 0.810) 1.459 6.531 ( 1.064 0.168 -2.526) 2.746======================= Grid point 674 (214/215) =======================q-point: (-0.42 0.42 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 354Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -0.000 0.647 5.983) 6.018 1.084 ( -0.000 2.494 5.756) 6.273 1.132 ( 0.000 -0.199 -2.390) 2.399 1.176 ( -0.000 1.553 -2.918) 3.306 1.420 ( -0.000 0.988 5.419) 5.508 1.460 ( -0.000 0.669 1.287) 1.451 1.475 ( 0.000 -0.010 0.134) 0.134 1.516 ( -0.000 2.234 -3.854) 4.455 1.786 ( 0.000 -0.514 5.156) 5.181 1.823 ( 0.000 -2.148 1.310) 2.516 2.180 ( 0.000 -0.684 3.797) 3.858 2.194 ( 0.000 -2.034 2.404) 3.149 2.291 ( -0.000 0.110 1.799) 1.802 2.334 ( 0.000 -0.256 -2.399) 2.413 3.058 ( -0.000 5.505 5.536) 7.807 3.139 ( 0.000 -0.038 -2.010) 2.010 3.620 ( 0.000 -5.529 8.456) 10.103 3.870 ( 0.000 -3.111 -16.237) 16.533 5.049 ( -0.000 0.900 8.693) 8.739 5.202 ( -0.000 1.601 -6.639) 6.829 5.347 ( 0.000 -0.012 9.855) 9.855 5.541 ( 0.000 -0.008 -9.209) 9.209 6.505 ( -0.000 0.622 0.719) 0.951 6.541 ( -0.000 0.342 -2.588) 2.610======================= Grid point 686 (215/215) =======================q-point: ( 0.50 -0.50 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 8.58e-05 8.58e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -0.000 0.000 5.801) 5.801 1.095 ( -0.000 0.000 5.580) 5.580 1.131 ( -0.000 0.000 -2.171) 2.171 1.183 ( 0.000 -0.000 -2.658) 2.658 1.424 ( -0.000 0.000 5.633) 5.633 1.463 ( -0.000 0.000 1.068) 1.068 1.474 ( 0.000 -0.000 0.334) 0.334 1.526 ( -0.000 0.000 -4.248) 4.248 1.783 ( -0.000 0.000 4.563) 4.563 1.813 ( 0.000 -0.000 1.569) 1.569 2.178 ( 0.000 -0.000 3.517) 3.517 2.184 ( -0.000 0.000 3.019) 3.019 2.291 ( -0.000 0.000 1.704) 1.704 2.333 ( -0.000 0.000 -2.330) 2.330 3.089 ( -0.000 0.000 4.354) 4.354 3.134 ( -0.000 0.000 0.045) 0.045 3.594 ( -0.000 0.000 8.548) 8.548 3.856 ( 0.000 -0.000 -16.968) 16.968 5.053 ( -0.000 0.000 8.861) 8.861 5.209 ( -0.000 0.000 -6.766) 6.766 5.347 ( -0.000 0.000 9.856) 9.856 5.541 ( -0.000 0.000 -9.209) 9.209 6.508 ( -0.000 0.000 0.606) 0.606 6.542 ( -0.000 0.000 -2.558) 2.558=================== 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 3/31104 10.0 13.117 14.490 15.545 0.000 0.000 -0.000 3/31104 20.0 3.577 3.284 4.759 0.000 0.000 -0.000 3/31104 30.0 1.981 1.743 2.622 0.000 0.000 -0.000 3/31104 40.0 1.391 1.199 1.827 0.000 0.000 -0.000 3/31104 50.0 1.089 0.924 1.423 0.000 0.000 -0.000 3/31104 60.0 0.904 0.756 1.177 0.000 0.000 -0.000 3/31104 70.0 0.778 0.642 1.008 0.000 0.000 -0.000 3/31104 80.0 0.685 0.560 0.883 0.000 0.000 -0.000 3/31104 90.0 0.613 0.497 0.787 0.000 0.000 -0.000 3/31104 100.0 0.555 0.446 0.711 0.000 0.000 -0.000 3/31104 110.0 0.508 0.406 0.648 0.000 0.000 -0.000 3/31104 120.0 0.468 0.372 0.595 0.000 0.000 -0.000 3/31104 130.0 0.434 0.344 0.551 0.000 0.000 -0.000 3/31104 140.0 0.405 0.319 0.513 0.000 0.000 -0.000 3/31104 150.0 0.379 0.298 0.479 0.000 0.000 -0.000 3/31104 160.0 0.357 0.280 0.450 0.000 0.000 -0.000 3/31104 170.0 0.337 0.264 0.424 0.000 0.000 -0.000 3/31104 180.0 0.319 0.249 0.401 0.000 0.000 -0.000 3/31104 190.0 0.303 0.236 0.381 0.000 0.000 -0.000 3/31104 200.0 0.288 0.224 0.362 0.000 0.000 -0.000 3/31104 210.0 0.275 0.214 0.345 0.000 0.000 -0.000 3/31104 220.0 0.263 0.204 0.330 0.000 0.000 -0.000 3/31104 230.0 0.252 0.195 0.315 0.000 0.000 -0.000 3/31104 240.0 0.242 0.187 0.303 0.000 0.000 -0.000 3/31104 250.0 0.232 0.180 0.291 0.000 0.000 -0.000 3/31104 260.0 0.224 0.173 0.280 0.000 0.000 -0.000 3/31104 270.0 0.215 0.167 0.269 0.000 0.000 -0.000 3/31104 280.0 0.208 0.161 0.260 0.000 0.000 -0.000 3/31104 290.0 0.201 0.155 0.251 0.000 0.000 -0.000 3/31104 300.0 0.194 0.150 0.243 0.000 0.000 -0.000 3/31104 310.0 0.188 0.145 0.235 0.000 0.000 -0.000 3/31104 320.0 0.182 0.141 0.228 0.000 0.000 -0.000 3/31104 330.0 0.177 0.137 0.221 0.000 0.000 -0.000 3/31104 340.0 0.172 0.133 0.215 0.000 0.000 -0.000 3/31104 350.0 0.167 0.129 0.208 0.000 0.000 -0.000 3/31104 360.0 0.163 0.125 0.203 0.000 0.000 -0.000 3/31104 370.0 0.158 0.122 0.197 0.000 0.000 -0.000 3/31104 380.0 0.154 0.119 0.192 0.000 0.000 -0.000 3/31104 390.0 0.150 0.116 0.187 0.000 0.000 -0.000 3/31104 400.0 0.147 0.113 0.183 0.000 0.000 -0.000 3/31104 410.0 0.143 0.110 0.178 0.000 0.000 -0.000 3/31104 420.0 0.140 0.108 0.174 0.000 0.000 -0.000 3/31104 430.0 0.136 0.105 0.170 0.000 0.000 -0.000 3/31104 440.0 0.133 0.103 0.166 0.000 0.000 -0.000 3/31104 450.0 0.130 0.101 0.163 0.000 0.000 -0.000 3/31104 460.0 0.128 0.098 0.159 0.000 0.000 -0.000 3/31104 470.0 0.125 0.096 0.156 0.000 0.000 -0.000 3/31104 480.0 0.122 0.094 0.152 0.000 0.000 -0.000 3/31104 490.0 0.120 0.092 0.149 0.000 0.000 -0.000 3/31104 500.0 0.118 0.091 0.146 0.000 0.000 -0.000 3/31104 510.0 0.115 0.089 0.144 0.000 0.000 -0.000 3/31104 520.0 0.113 0.087 0.141 0.000 0.000 -0.000 3/31104 530.0 0.111 0.085 0.138 0.000 0.000 -0.000 3/31104 540.0 0.109 0.084 0.136 0.000 0.000 -0.000 3/31104 550.0 0.107 0.082 0.133 0.000 0.000 -0.000 3/31104 560.0 0.105 0.081 0.131 0.000 0.000 -0.000 3/31104 570.0 0.103 0.079 0.128 0.000 0.000 -0.000 3/31104 580.0 0.101 0.078 0.126 0.000 0.000 -0.000 3/31104 590.0 0.100 0.077 0.124 0.000 0.000 -0.000 3/31104 600.0 0.098 0.076 0.122 0.000 0.000 -0.000 3/31104 610.0 0.097 0.074 0.120 0.000 0.000 -0.000 3/31104 620.0 0.095 0.073 0.118 0.000 0.000 -0.000 3/31104 630.0 0.094 0.072 0.116 0.000 0.000 -0.000 3/31104 640.0 0.092 0.071 0.115 0.000 0.000 -0.000 3/31104 650.0 0.091 0.070 0.113 0.000 0.000 -0.000 3/31104 660.0 0.089 0.069 0.111 0.000 0.000 -0.000 3/31104 670.0 0.088 0.068 0.109 0.000 0.000 -0.000 3/31104 680.0 0.087 0.067 0.108 0.000 0.000 -0.000 3/31104 690.0 0.085 0.066 0.106 0.000 0.000 -0.000 3/31104 700.0 0.084 0.065 0.105 0.000 0.000 -0.000 3/31104 710.0 0.083 0.064 0.103 0.000 0.000 -0.000 3/31104 720.0 0.082 0.063 0.102 0.000 0.000 -0.000 3/31104 730.0 0.081 0.062 0.100 0.000 0.000 -0.000 3/31104 740.0 0.080 0.061 0.099 0.000 0.000 -0.000 3/31104 750.0 0.079 0.061 0.098 0.000 0.000 -0.000 3/31104 760.0 0.078 0.060 0.097 0.000 0.000 -0.000 3/31104 770.0 0.077 0.059 0.095 0.000 0.000 -0.000 3/31104 780.0 0.076 0.058 0.094 0.000 0.000 -0.000 3/31104 790.0 0.075 0.057 0.093 0.000 0.000 -0.000 3/31104 800.0 0.074 0.057 0.092 0.000 0.000 -0.000 3/31104 810.0 0.073 0.056 0.091 0.000 0.000 -0.000 3/31104 820.0 0.072 0.055 0.089 0.000 0.000 -0.000 3/31104 830.0 0.071 0.055 0.088 0.000 0.000 -0.000 3/31104 840.0 0.070 0.054 0.087 0.000 0.000 -0.000 3/31104 850.0 0.069 0.053 0.086 0.000 0.000 -0.000 3/31104 860.0 0.069 0.053 0.085 0.000 0.000 -0.000 3/31104 870.0 0.068 0.052 0.084 0.000 0.000 -0.000 3/31104 880.0 0.067 0.052 0.083 0.000 0.000 -0.000 3/31104 890.0 0.066 0.051 0.082 0.000 0.000 -0.000 3/31104 900.0 0.066 0.050 0.082 0.000 0.000 -0.000 3/31104 910.0 0.065 0.050 0.081 0.000 0.000 -0.000 3/31104 920.0 0.064 0.049 0.080 0.000 0.000 -0.000 3/31104 930.0 0.063 0.049 0.079 0.000 0.000 -0.000 3/31104 940.0 0.063 0.048 0.078 0.000 0.000 -0.000 3/31104 950.0 0.062 0.048 0.077 0.000 0.000 -0.000 3/31104 960.0 0.062 0.047 0.076 0.000 0.000 -0.000 3/31104 970.0 0.061 0.047 0.076 0.000 0.000 -0.000 3/31104 980.0 0.060 0.046 0.075 0.000 0.000 -0.000 3/31104 990.0 0.060 0.046 0.074 0.000 0.000 -0.000 3/31104 1000.0 0.059 0.045 0.073 0.000 0.000 -0.000 3/31104Thermal conductivity related properties were written into "kappa-m12129.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 10:38:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|